Chemical Properties of Oxygen (CAS 7782-44-7)

InChI

InChI=1S/O2/c1-2

InChI Key

MYMOFIZGZYHOMD-UHFFFAOYSA-N

Formula

O2

SMILES

O=O

Molecular Weight¹

32.00

CAS

7782-44-7

Other Names

• Dioxygen
• Liquid oxygen
• Molecular oxygen
• O2
• Oxygen molecule
• Pure oxygen
• UN 1072
• UN 1073

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• R_g : Radius of Gyration.
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• S°_{gas,1 bar} : Molar entropy at standard conditions (1 bar) (J/mol×K).
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.0250		KDB
PAff	[421.00; 421.00]	kJ/mol
PAff	421.00	kJ/mol	NIST
PAff	421.00 ± 3.00	kJ/mol	NIST
BasG	396.30	kJ/mol	NIST
μ	0.00	debye	KDB
EA	[0.15; 1.27]	eV
EA	0.45 ± 0.01	eV	NIST
EA	0.45 ± 0.01	eV	NIST
EA	0.44 ± 0.01	eV	NIST
EA	0.45 ± 0.05	eV	NIST
EA	0.44 ± 0.10	eV	NIST
EA	0.40 ± 0.10	eV	NIST
EA	0.45 ± 0.02	eV	NIST
EA	0.50 ± 0.10	eV	NIST
EA	0.43 ± 0.03	eV	NIST
EA	0.46 ± 0.05	eV	NIST
EA	0.45 ± 0.10	eV	NIST
EA	0.50 ± 0.20	eV	NIST
EA	0.43 ± 0.02	eV	NIST
EA	0.48	eV	NIST
EA	0.56 ± 0.10	eV	NIST
EA	0.73	eV	NIST
EA	Outlier 1.27 ± 0.20	eV	NIST
EA	Outlier 1.12 ± 0.07	eV	NIST
EA	1.10 ± 0.10	eV	NIST
EA	0.15 ± 0.05	eV	NIST
Rg	0.6040		KDB
ΔfusH°	6.37	kJ/mol	Joback Calculated Property
IE	[12.00; 12.80]	eV
IE	12.07 ± 0.00	eV	NIST
IE	12.07 ± 0.00	eV	NIST
IE	12.10 ± 0.10	eV	NIST
IE	Outlier 12.80 ± 0.50	eV	NIST
IE	12.00 ± 1.00	eV	NIST
IE	12.08 ± 0.00	eV	NIST
IE	12.07	eV	NIST
IE	12.07 ± 0.00	eV	NIST
IE	12.00 ± 0.50	eV	NIST
IE	12.20 ± 0.20	eV	NIST
IE	12.07 ± 0.01	eV	NIST
IE	12.08	eV	NIST
IE	12.08	eV	NIST
IE	12.13	eV	NIST
IE	12.07 ± 0.01	eV	NIST
IE	12.06 ± 0.00	eV	NIST
IE	12.08 ± 0.01	eV	NIST
IE	12.06 ± 0.00	eV	NIST
IE	12.08 ± 0.01	eV	NIST
IE	12.30	eV	NIST
IE	12.33 ± 0.01	eV	NIST
logPoct/wat	0.067		Crippen Calculated Property
McVol	18.300	ml/mol	McGowan Calculated Property
Pc	[4985.19; 5043.00]	kPa
Pc	5043.00	kPa	KDB
Pc	5043.00 ± 0.50	kPa	NIST
Pc	5003.43 ± 30.39	kPa	NIST
Pc	4992.28 ± 30.39	kPa	NIST
Pc	4985.19 ± 30.39	kPa	NIST
Ptriple	0.15	kPa	KDB
ρc	435.18 ± 0.45	kg/m3	NIST
S°gas,1 bar	205.15 ± 0.01	J/mol×K	NIST
Tboil	[90.20; 90.20]	K
Tboil	90.20	K	KDB
Tboil	90.20 ± 0.20	K	NIST
Tc	[154.58; 155.15]	K
Tc	154.59	K	KDB
Tc	154.58 ± 0.00	K	NIST
Tc	154.58 ± 0.00	K	NIST
Tc	155.15 ± 0.30	K	NIST
Tfus	[54.36; 54.80]	K
Tfus	54.36	K	KDB
Tfus	54.80 ± 0.20	K	NIST
Ttriple	[54.33; 54.36]	K
Ttriple	54.36	K	KDB
Ttriple	54.33 ± 0.06	K	NIST
Vc	0.073	m3/kmol	KDB
Zc	0.2864140		KDB
Zra	0.29		KDB

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[9.31; 21.37]	J/mol×K	[177.00; 289.79]
Cp,gas	9.31	J/mol×K	177.00	Joback Calculated Property
Cp,gas	11.77	J/mol×K	195.80	Joback Calculated Property
Cp,gas	14.04	J/mol×K	214.60	Joback Calculated Property
Cp,gas	16.12	J/mol×K	233.40	Joback Calculated Property
Cp,gas	18.04	J/mol×K	252.20	Joback Calculated Property
Cp,gas	19.78	J/mol×K	270.99	Joback Calculated Property
Cp,gas	21.37	J/mol×K	289.79	Joback Calculated Property
η	[0.0021038; 0.0114021]	Pa×s	[126.66; 177.00]
η	0.0114021	Pa×s	126.66	Joback Calculated Property
η	0.0078823	Pa×s	135.05	Joback Calculated Property
η	0.0056896	Pa×s	143.44	Joback Calculated Property
η	0.0042575	Pa×s	151.83	Joback Calculated Property
η	0.0032841	Pa×s	160.22	Joback Calculated Property
η	0.0025996	Pa×s	168.61	Joback Calculated Property
η	0.0021038	Pa×s	177.00	Joback Calculated Property
ΔvapH	9.26	kJ/mol	30.50	Measurements of enthalpy of sublimation of Ne, N2, O2, Ar, CO2, Kr, Xe, and H2O using a double paddle oscillator
ρl	1149.00	kg/m3	90.00	KDB
γ	[0.00; 0.02]	N/m	[80.00; 132.00]
γ	0.02	N/m	80.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.01	N/m	90.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.01	N/m	100.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.01	N/m	115.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.01	N/m	120.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.01	N/m	124.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.00	N/m	128.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension
γ	0.00	N/m	132.00	The liquid gas interface of oxygen nitrogen solutions 1. Surface tension

Datasets

Speed of sound, m/s

Operational condition: Frequency, MHz = 8 (Fluid (supercritical or subcritical phases))

Fixed		Measured
Temperature, K - Fluid (supercritical or subcritical phases)	Pressure, kPa - Fluid (supercritical or subcritical phases)	Speed of sound, m/s - Fluid (supercritical or subcritical phases)
499.03	4920.00	434.71
399.09	4960.00	388.03
499.03	5910.00	436.52
449.94	6010.00	414.33
399.09	6020.00	389.77
499.03	7820.00	440.23
399.09	7950.00	393.26
449.95	8010.00	418.16
349.98	8030.00	367.01
299.97	9920.00	340.22
449.94	9970.00	422.01
399.11	9980.00	397.34
498.94	10000.00	444.64
349.99	10070.00	370.9
299.96	14860.00	352.65
499.02	14940.00	455.31
349.99	14980.00	382.53
449.94	15000.00	433.26
399.10	15010.00	408.72
349.99	19640.00	396.03
399.06	19900.00	421.58
449.94	20010.00	445.6
299.97	20050.00	370.99
499.04	20070.00	467.39
499.01	24900.00	479.52
449.94	24940.00	458.85
349.99	24980.00	414.2
399.09	25010.00	436.72
299.97	25030.00	392.82
399.09	29900.00	452.47
499.00	29910.00	492.81
299.97	29960.00	417.33
349.98	29990.00	433.29
449.94	30000.00	473.4
499.00	34730.00	506.11
399.08	34890.00	469.6
299.97	34960.00	443.87
449.93	35030.00	488.6
349.99	35080.00	454.09
299.97	39960.00	471.2
399.08	39970.00	487.82
498.99	40010.00	521.13
449.93	40050.00	504.35
350.03	40050.00	475.39
499.00	44900.00	535.41
399.08	44980.00	506.29
349.99	45020.00	497.15
299.97	45030.00	498.92
449.94	45090.00	520.58
349.98	49900.00	518.73
449.94	49910.00	536.52
499.03	49930.00	550.29
299.97	50010.00	525.82
399.09	50090.00	525.43
499.03	54810.00	564.89
399.08	54970.00	543.88
449.90	55090.00	553.54
349.99	55110.00	541.66
299.97	55140.00	552.86
349.99	59910.00	562.59
498.89	60010.00	580.54
449.90	60070.00	570.12
399.08	60070.00	563.14
299.97	60160.00	578.47
399.08	64900.00	581.28
350.03	64930.00	584.11
299.97	64960.00	602.28
498.89	65000.00	595.63
449.89	65180.00	587.16
349.99	68690.00	600.07
299.97	69690.00	624.95
498.83	69940.00	610.55
399.08	70100.00	600.65
449.89	70120.00	603.58
300.00	74030.00	645.07
399.07	74590.00	617.2
498.91	74960.00	625.69
449.88	75270.00	620.61
349.98	78850.00	641.85
399.07	79990.00	636.78
498.92	79990.00	640.74
449.87	80010.00	636.12
399.05	83180.00	648.15
498.93	84890.00	655.27
449.88	85020.00	652.33
449.79	87520.00	660.32
449.95	88050.00	662.01
498.91	90000.00	670.28
498.90	95000.00	684.96
498.91	100060.00	699.53
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 5041.09]	kPa	[54.35; 154.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37279e+01
Coefficient B			-7.81059e+02
Coefficient C			-4.45000e+00
Temperature range, min.			54.35
Temperature range, max.			154.58
Pvap	0.15	kPa	54.35	Calculated Property
Pvap	2.54	kPa	65.49	Calculated Property
Pvap	18.28	kPa	76.62	Calculated Property
Pvap	77.68	kPa	87.76	Calculated Property
Pvap	234.65	kPa	98.90	Calculated Property
Pvap	561.36	kPa	110.03	Calculated Property
Pvap	1137.05	kPa	121.17	Calculated Property
Pvap	2036.66	kPa	132.31	Calculated Property
Pvap	3322.69	kPa	143.44	Calculated Property
Pvap	5041.09	kPa	154.58	Calculated Property

Similar Compounds

Find more compounds similar to Oxygen.

Mixtures

• Carbon dioxide + Oxygen + Argon
• Carbon dioxide + Oxygen + Sulfur dioxide
• Octane + Oxygen
• Octane, 1-bromo- + Oxygen
• Benzene + Oxygen
• Styrene + Oxygen
• Nitrogen + Styrene + Oxygen
• Ethanol + Oxygen
• 2-PROPANOL, 1,1,1,3,3,3-HEXAFLUORO- + Oxygen + Water
• Carbon dioxide + Oxygen
• Oxygen + Sulfur dioxide
• Perfluorooctyl bromide + Oxygen
• 1H-Perfluorooctane + Oxygen
• Oxygen + Octane, perfluoro-1,8-dihydro
• 1,2-Ethanediol + Oxygen + Water
• Cyclohexanol + Oxygen
• Nitrogen + Oxygen
• Ammonia + Oxygen
• Oxygen + Water
• Acetonitrile + Oxygen

Find more mixtures with Oxygen.

Sources

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• Experimental and computational thermochemistry of 1-phenylpyrrole and 1-(4-methylphenyl)pyrrole
• A joint experimental and computational investigation on the thermochemistry of (nitrophenyl)pyrroles
• Experimental and computational energetic study of two halogenated 2-acetylpyrrole derivatives: 2-trichloroacetylpyrrole and 2-trifluoroacetylpyrrole
• Experimental and computational thermochemical study of oxindole
• Standard molar enthalpy of formation of 1-benzosuberone: An experimental and computational study
• Experimental and computational study of the energetics of 5- and 6-aminoindazole
• Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound
• Energetics of the isomers: 3- and 4-hydroxycoumarin
• A calorimetric and computational study of the thermochemistry of halogenated 1-phenylpyrrole derivatives
• Standard molar enthalpies of formation of monochloroacetophenone isomers
• Thermochemical study of 2,5-dimethyl-3-furancarboxylic acid, 4,5-dimethyl-2-furaldehyde, and 3-acetyl-2,5-dimethylfuran
• Thermodynamic study of 9-anthracenecarboxylic acid
• Thermochemical study of three dibromophenol isomers
• Thermochemical study of some dichloroacetophenone isomers
• Experimental and computational study on the energetics of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene (dibenzosuberane)
• Experimental study on the thermochemistry of 3-nitrobenzophenone, 4-nitrobenzophenone and 3,3'-dinitrobenzophenone
• Combined experimental and computational study on the energetics of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one
• Standard molar enthalpies of formation of 3'- and 4'-nitroacetophenones
• Thermodynamic study of solvent-free reaction between 17-methyltestosterone and o-aminophenol
• Enthalpy of formation of zinc acetate dihydrate
• Thermochemistry of 2,2'-dipyridil N-oxide and 2,20-dipyridil N,N'-dioxide. The dissociation enthalpies of the N-O bonds
• When theory and experiment hold hands: The thermochemistry of gamma-pyrone derivatives
• Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene
• Standard molar enthalpies of formation in the crystalline phase of 7-hydroxy-4-methylcoumarin, 7-ethoxy-4-methylcoumarin, and 6-methoxy-4-methylcoumarin
• Calorimetric and computational study of 7-hydroxycoumarin
• Energetics of 1-(aminophenyl)pyrroles: A joint calorimetric and computational study
• Experimental study on the thermochemistry of some amino derivatives of uracil
• Experimental and computational study on the molecular energetics of benzyloxyphenol isomers
• Thermochemical study of 5-methyluracil, 6-methyluracil, and 5-nitrouracil
• Renewable platform-chemicals and materials: Thermochemical study of levulinic acid
• Fluorene: An extended experimental thermodynamic study
• Experimental and computational thermodynamic study of ortho-, meta-, and para-methylbenzamide
• Standard molar enthalpies of formation of three methyl-pyrazole derivatives
• Experimental thermochemical study of fluoro-, chloro- and bromo- derivatives of uracil
• Enthalpies of combustion and formation of benzenesulfonamide and some of its derivatives
• Thermochemistry of some methoxypyridines
• Experimental and computational study of the molecular energetics of the monoiodoanisole isomers
• Molecular energetics of pyrrolecarbonitriles and derivatives: A combined calorimetric and computational study
• Gas solubility of carbon dioxide and of oxygen in cyclohexanol by experiment and molecular simulation
• Energetic and structural properties of 4-nitro-2,1,3-benzothiadiazole
• Thermodynamic properties of fluoranthene: An experimental and computational study
• 2,1,3-Benzothiadiazole: study of its structure, energetics and aromaticity
• Energies of combustion and standard molar enthalpies of formation of ricinoleic acid and methyl ricinoleate
• Thermochemistry of ammonium based ionic liquids: Tetra-alkyl-ammonium nitrates - experiments and computations
• Experimental and computational thermochemical studies of 9-R-xanthene derivatives (R=OH, COOH, CONH2)
• Thermodynamic properties of 9-fluorenone: Mutual validation of experimental and computational results
• Thermochemical and structural properties of DMAN- "proton sponges"
• Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
• Synthesis, structure, and thermodynamics of a lanthanide coordination compound incorporating 5-nitroisophthalic acid
• Experimental and computational thermochemistry of 6,7-dihydro-4(5H)-benzofuranone
• Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
• The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
• Experimental and computational thermochemical studies of benzoxazole and two chlorobenzoxadole derivatives
• Calorimetric study of 20-methylacetophenone and 40-methylacetophenone
• Experimental redetermination of the gas-phase enthalpy of formation of ethyl 2-thiophenecarboxylate
• A calorimetric and thermodynamic investigation of potassium uranyl tungstate K2[(UO2)(W2O8)]
• Thermochemistry of a-D-xylose(cr)
• Experimental and computational study of the thermochemistry of the three iodonitrobenzene isomers
• Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin
• Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
• Heat capacity and thermodynamics of a synthetic two-line ferrihydrite, FeOOH 0.027H2O
• Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies
• Solubilities of CO2, H2, N2 and O2 in ionic liquid 1-n-butyl-3-methylimidazolium heptafluorobutyrate
• Thermodynamic properties of starch and glucose
• Mass spectrometric study of the vaporization behaviour of alpha-Na2NpO4: Thermodynamic investigation of the enthalpy of formation
• Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
• Calibration and testing of an isoperibolic micro-combustion calorimeter developed to measure the enthalpy of combustion of organic compounds containing C, H, O and N
• Structure and energetics correlations in some chlorohydroxypyridines
• A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acid
• Solubilities of some gases in four immidazolium-based ionic liquids
• Standard enthalpy of formation of lithium diphosphate
• Energetics of aminomethylpyrimidines: An examination of the aromaticity of nitrogen heteromonocyclic derivatives
• Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
• Standard molar enthalpy of combustion and formation of enantiomers: (S)-(+)-3,5-Dinitro-N-(1-phenylethyl)benzamide and (R)-(-)-3,5-Dinitro-N-(1-phenylethyl)benzamide
• Thermodynamic and aromaticity studies for the assessment of the halogen...cyano interactions on Iodobenzonitrile
• S6 Isomer of C60(CF3)12: Synthesis, properties and thermodynamic functions
• Energetic study of benzothiazole and two methylbenzothiazole derivatives: Calorimetric and computational approaches
• The thermodynamic stability of the three isomers of methoxybenzamide: An experimental and computational study
• Experimental thermochemical study of 2-chloroacetophenone and 2,4'-dichloroacetophenone
• Energetics and molecular structure of alkyl 1-methylpyrrolecarboxylates (alkyl = methyl or ethyl)
• Energetics of 2- and 3-coumaranone isomers: A combined calorimetric and computational study
• Experimental and computational study on the energetics of N-acetyl-L-cysteine
• Thermochemical properties of 4-N,N-dialkylamino-7-nitrobenzofurazan derivatives (alkyl = methyl, ethyl)
• Phase equilibria of the systems of CsCl + ErCl3 + H2O and CsCl + ErCl3 + HCl (~10.7%, ~14.4%) + H2O at T = 298.15 K and the standard molar enthalpies of formation of solid phase compounds
• Crystal structure, lattice potential energy, and thermochemical properties of a novel compound barium D-gluconate tetrahydrate
• Energetics and stability of azulene: From experimental thermochemistry to high-level quantum chemical calculations
• Vaporization thermodynamics of the ZnO-SnO2 system
• Structural, energetic and reactivity properties of phenoxazine and phenothiazine
• Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)
• Thermochemical properties of two mixed alkali-alkaline earth metal borates as non-linear optical materials: NaSrBO3 and KSr4B3O9
• Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs. quantum chemical calculations
• Thermodynamic study of MgO-Sb2O3 system and the stability functions of magnesium antimonite
• Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene
• Thermochemistry of 1,1,3,3-tetramethylguanidine and 1,1,3,3-tetramethylguanidinium nitrate
• Standard enthalpies of formation of 2-aminobenzothiazoles in the crystalline phase by rotating-bomb combustion calorimetry
• Experimental and computational thermochemical study of 1,3,5-trimethyl-, 1,5,5-trimethyl-, and 1,3,5,5-tetramethyl-barbituric acids
• Enthalpy of formation of 5-fluoro-1,3-dimethyluracil: 5-Fluorouracil revisited
• Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene
• Crystal structure and thermochemical properties of a novel coordination compound manganese D-gluconate tetrahydrate
• Standard molar enthalpy of formation of methoxyacetophenone isomers
• Thermodynamic study of 2-aminothiazole and 2-aminobenzothiazole: Experimental and computational approaches
• Standard thermodynamic properties of Bi2O3 by a solid-oxide electrolyte EMF technique
• Experimental and high level ab initio enthalpies of formation of di- tri- tetra- and pentamethyl- substituted pyrroles
• Enthalpies of formation of europium alkoxides: What lessons can be drawn from them
• Thermochemistry of 1,3-diethylbarbituric and 1,3-diethyl-2-thiobarbituric acids: Experimental and computational study
• Thermodynamic properties of the methyl esters of p-hydroxy and p-methoxy benzoic acids
• Calorimetric study of bromoacetophenone isomers
• Crystal structure and thermochemical properties of a novel coordination compound sodium pyruvate C3H3O3Na(s)
• Gas phase enthalpies of formation of nitrobenzamides using combustion calorimetry and thermal analysis
• Thermodynamic properties and behaviour of A2[(UO2)(MoO4)2] compounds with A = Li, Na, K, Rb, and Cs
• Thermodynamic study on complex of neodymium with glycine
• New experimental heat capacity and enthalpy of formation of lithium cobalt oxide
• Experimental and theoretical study of thermodynamic properties of levoglucosan
• Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
• Benchmark thermodynamic properties of 1,3-propanediol: Comprehensive experimental and theoretical study
• Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
• Thermodynamic properties of 1-naphthol: Mutual validation of experimental and computational results
• Thermochemistry of uracil and thymine revisited
• Thermodynamic properties of 4-tert-butyl-diphenyl oxide
• Thermodynamic investigations on barium indate
• Thermodynamic properties of bromine fluorene derivatives: An experimental and computational study
• Thermodynamic investigation of Na2U2O7 using Knudsen effusion mass spectrometry and high temperature X-ray diffraction
• A calorimetric and thermodynamic investigation of A2[(UO2)2(MoO4)O2] compounds with A = K and Rb and calculated phase relations in the system (K2MoO4 + UO3 + H2O)
• Experimental and computational thermodynamics of pyrene and 1-pyrenecarboxaldehyde and their photophysical properties
• Benchmark thermochemistry of methylbenzonitriles: Experimental and theoretical study
• Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol
• Thermochemical study of the isomeric compounds: 3-acetylbenzonitrile and benzoylacetonitrile
• Thermochemical properties of microporous materials for two borogermanates, .beta.-K2[B2Ge3O10] and NH4[BGe3O8]
• Standard thermochemical characteristics of combustion and formation of 3,5-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butyl-o-benzoquinone at T = 298.15 K
• Thermodynamic properties of intermetallic PtTe determined by means of a solid electrolyte EMF method
• A 2D nickel-based energetic MOFs incorporating 3,5-diamino-1,2,4-triazole and malonic acid: Synthesis, crystal structure and thermochemical study
• Energetic insights on two dye key molecules: N-methylphenothiazine and N-methylphenoxazine
• Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies
• Enthalpy of formation of natural hydrous copper sulfate: Chalcanthite
• Energetics of neutral and deprotonated (Z)-cinnamic acid
• The effect of ketone groups on the energetic properties of phthalan derivatives
• Experimental and computational thermochemical studies of 6-azauracil derivatives
• Thermodynamic properties of alkyl 1H-indole carboxylate derivatives: A combined experimental and computational study
• Selective absorption of CO2 from H2, O2 and N2 by 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate
• Experimental and computational thermochemical study of benzofuran, benzothiophene and indole derivatives
• Energetics and structural properties of neutral and deprotonated phenyl carbinols
• Thermochemical study of dichloromethylpyrimidine isomers
• Thermodynamic properties of vitamin B9
• Thermodynamic properties of 2,7-di-tert-butylfluorene - An experimental and computational study
• Adamantanes: Benchmarking of thermochemical properties
• Comprehensive thermophysical and thermochemical studies of vanillyl alcohol
• Thermochemical and theoretical study of 2-oxazolidinone and 3-acetyl-2-oxazolidinone
• Thermodynamic properties of methylprednisolone aceponate
• Solubility and selectivity of CO2 in ether-functionalized imidazolium ionic liquids
• Thermodynamic properties of L-tryptophan
• Calorimetric and computational studies for three nitroimidazole isomers
• Standard enthalpy, entropy and Gibbs free energy of formation of "A" type carbonate phosphocalcium hydroxyapatites
• Thermochemistry of La1-xLnxPO4-monazites (Ln = Gd, Eu)
• Thermochemical studies on two alkyl-bulky substituted xanthene derivatives: 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene
• Comprehensive thermodynamic study of methylprednisolone
• Aluminum dihydrogen tripolyphosphate: Thermodynamic characteristics
• Vapour pressures, enthalpies and Gibbs energies of formation and sublimation of fluorene-2-carboxaldehyde
• Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
• A calorimetric investigation of A2[(UO2)2(WO5)O] compounds with A = K, Rb and Cs and calculated phase relations in the K2WO4-UO3-H2O and K2MoO4-K2WO4-UO3-H2O systems
• Vaporization in the Ga2O3-ZnO system by high temperature mass spectrometry
• A calorimetric and thermodynamic investigation of zinc and cadmium hydrous selenites
• Synthesis and energetics of Na, K, Rb and Cs salts by reaction with 1,2-ethanediol and 1,4-butanediol
• The standard molar enthalpies of formation and heat capacities of PbMoO4 (s) and Pb2MoO5 (s)
• Thermochemical and conformational study of optical active phenylbenzazole derivatives
• Thermodynamic properties of myo-inositol
• Thermodynamic properties of pyrrole, 1-methylpyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole: Experimental and computational results
• Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
• Thermodynamic properties of L-threonine
• Experimental and computational thermochemical studies of acridone and N-methylacridone
• Measurements of enthalpy of sublimation of Ne, N2, O2, Ar, CO2, Kr, Xe, and H2O using a double paddle oscillator
• Determination of the standard molar enthalpies of formation and heat capacities of Bi25FeO39 (s) and Bi2Fe4O9 (s) by calorimetry
• Thermodynamic properties of S-(-)-nicotine
• Thermodynamic study of Cs3Na(MoO4)2: Determination of the standard enthalpy of formation and standard entropy at 298.15 K
• Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole
• Thermochemical properties of two mixed alkali-alkaline earth metal borates with NLO properties for NaCaBO3 and Li4CaB2O6
• Benchmark properties of biphenyl as a liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
• Energetic vs structural effects of aminoalkyl substituents in the morpholine
• Thermochemistry of R-SH group in gaseous phase: Experimental and theoretical studies of three sulfur imidazole derivatives
• Standard enthalpy of formation of diphenyl oxide
• Experimental and theoretical study of methyl n-hydroxybenzoates
• Energetic characterization of a bioactive compound: Uridine
• Benchmark properties of diphenyl oxide as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
• Thermodynamic properties of 2-methylindole: Experimental and computational results for gas-phase entropy and enthalpy of formation
• Thermodynamic properties of naphthoxazole and naphthothiazole derivatives: Experimental and computational studies
• Thermodynamic properties of 2-methyl lactic acid
• Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
• Volatility and thermodynamic stability of vanillin
• Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
• Renewable platform chemicals: Evaluation of thermochemical data of alkyl lactates with complementary experimental and computational methods
• Thermochemical and structural studies of gallic and ellagic acids
• Thermodynamics of tetraphenylantimony benzoate Ph4SbOC(O)Ph
• Standard enthalpy of formation of copper(II) pivalate
• Thermodynamic investigation of L-carnitine
• Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa
• N-phenyl-carbazole as a potential liquid organic hydrogen carrier: Thermochemical and computational study
• Standard enthalpies of formation of dicyclopropyldinitromethane and tricyclopropylmethane
• Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone
• Thermodynamic properties of epsilon-caprolactam and epsilon-caprothiolactam
• Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
• Thermal and structural properties of ethyl 2- and 3-aminobenzoates: Experimental and computational approaches
• Thermodynamic properties of Pr7O12
• A calorimetric and thermodynamic investigation of cesium uranyl tungstate Cs8[(UO2)4(WO4)4(WO5)2]
• Investigation in the variation of Gibbs energy of formation of RE6UO12 (RE = La, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Tm, Yb, Lu) along the 4f series
• Synthesis, characterization and standard molar enthalpies of formation of two zinc borates: 2ZnO*2B2O3*3H2O and ZnB4O7
• An experimental calorimetric and a DFT + U study of the thermodynamic properties of Cs4[(UO2)4(WO5)(W2O8)O2] and Cs4[(UO2)7(WO5)3O3]
• Determination of thermodynamic properties of Bi2Mo3O12 (s), Bi2MoO6 (s) and Bi6Mo2O15 (s)
• Enthalpies of combustion and formation of fullerenes by micro-combustion calorimetry in a Calvet calorimeter
• Low-temperature heat-capacity and standard molar enthalpy of formation of copper l-threonate hydrate Cu(C4H6O5)*0.5H2O(s)
• Thermodynamic investigation of room temperature ionic liquid: The heat capacity and standard enthalpy of formation of EMIES
• Enthalpies of combustion and formation of 3-formylchromones
• Experimental thermochemical study of two polymethylpyrazine N,N -dioxide derivatives
• Thermochemical study of 1-, 3- and 4-piperidinecarboxamide derivatives
• Thermodynamic investigation of several natural polyols (I): Heat capacities and thermodynamic properties of xylitol
• Investigation of thermodynamic properties of 1,1'-biadamantane
• Thermodynamic Studies of Crystalline 2-Amino-5-nitropyridine (C5H5N3O2)
• Thermochemical properties of rare earth complexes with salicylic acid
• Thermochemistry of Potassium Strontium Tetraborate Decahydrated
• Thermodynamic stability of Sm2TeO6
• Low-temperature heat capacities and standard molar enthalpy of formation of the solid-state coordination compound trans-Cu(Ala)2(s) (Ala = l- -alanine)
• Thermochemial Properties of 1-Butyl-3-Methylimidazolium Nitrate
• Thermodynamic studies on LnCoO3(s) (Ln =Dy, Ho) by solid-state electrochemical cells
• Low temperature heat capacities and standard molar enthalpy of formation of sodium benzoate C6H5COONa (s)
• Enthalpies of combustion and formation of 2-acetylpyrrole, 2-acetylfuran and 2-acetylthiophene
• THE STANDARD ENTHALPIES OF FORMATION OF L-ASPARAGINE AND L-a- GLUTAMINE
• Thermodynamic investigation of several natural polyols ( IV): Heat capacities and thermodynamic properties of adonitol
• Isomorphism and phase diagram of Pb5(PO4)3F-Pb5(PO4)3Cl system
• Pyridinium Based Ionic Liquids. n-Butyl-3-Methyl-Pyridinium Dicyanoamide: Thermochemical Measurement and First-Principles Calculations
• Imidazolium based ionic liquids. 1-Ethanol-3-methyl-imidazolium dicyanoamide: Thermochemical measurement and first-principles calculations
• A method for determination of reaction enthalpy of oxygen carriers for Chemical Looping Combustion - application to ilmenite
• THE STANDARD ENTHALPIES OF FORMATION OF PROLINE ISOMERS
• Standard enthalpies of formation of the AgCs(NO3)2 and Ag3Cs(NO3)4 compounds
• Low-temperature Heat Capacity and the Standard Molar Enthalpy of Formation of Compound Chromium(III) Tri(2-Pyrazinecarboxylate)
• Thermochemical Analysis on Rare Earth Complex of Gadolinium with Salicylic acid and 8-hydroxyquinoline
• Enthalpy of Formation of Ln2O2CO3 II (Ln = La, Nd, Eu) and Thermodynamics of Decomposition Equilibria
• Synthesis, Structural Characterization and Thermochemistry of Copper Pyridine 2,6-dicarboxylate
• Synthesis, crystal structure and thermochemistry of nickel hydrogen pyridine-2,6-dicarboxylate
• The thermochemistry of threonine stereoisomers
• Standard Molar Enthalpies of Formation for the Two Mixed Alkali-Alkaline Earth Metal Borates of LiBaB9O15 and NaBaB9O15
• Thermodynamic Properties of 1-Ethyl-4-nitro-1,2,3-triazole
• Standard Gibbs energy of formation of tellurium dioxidemeasurement by a solid-oxide electrolyte EMF technique
• Thermodynamic properties of vitamin B2
• Thermo physico-chemical investigations on A-Te-O (A = Cr, Fe, Ni) system
• THERMOCHEMISTRY OF CYCLIC ACETONE PEROXIDES
• Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
• Thermodynamic properties of 5-(1-adamantyl)tetrazole
• A thermochemical study of serine stereoisomers
• Thermochemistry of organic azides revisited
• Enthalpy of formation of Li1+xMn2-xO4 (0 less than x less than 0.1) spinel phases
• Vaporization studies over (NiO + Ni2Te3O8) in the Ni-Te-O system by transpiration thermogravimetry and Knudsen effusion mass spectrometry
• Combustion behavior and physico-chemical properties of dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50)
• Thermodynamic stability of Ca3TeO6 determined by a solid electrolyte EMF method
• Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study
• 5-Isopropylbarbituric and 2-thiobarbituric acids: An experimentaland computational study
• Gibbs energy of formation of bismuth(III) oxide
• Standard enthalpy of reaction for the reduction of Co3O4 to CoO
• The standard enthalpy of formation of superionic solid electrolyte Li7La3Zr2O12
• Renewable platform chemicals: Thermochemical study of levulinic acid esters
• Thermodynamic properties of pyruvic acid and its methyl ester
• Experimental and theoretical thermodynamic properties of RS-(+-)- and S-(+)-mandelic acids
• Thermodynamics and kinetics analysis of thermal dissociation of tri-n-octylamine hydrochloride in open system: A DFT and TGA study
• Calorimetric method for determining the thermochemical energy storage capacities of redox metal oxides
• Calorimetric and computational study of (1H-Indol-n-yl)methanol and 2-(1H-Indol-n-yl)ethanol (n=2, 3)
• Thermodynamic investigation of thorium and strontium substituted monazite solid-solution
• Densities of CO2/N2/O2 ternary mixtures at temperatures from (300.15 to 353.15) K and pressures from (5 to 18) MPa
• Determination of standard molar enthalpies of formation of Bi2Mo3O12 (s), Bi2MoO6 (s), Bi6Mo2O15 (s) and Bi6MoO12 (s) by solution calorimetry
• Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives
• A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property
• Speed of sound of oxygen in supercritical states up to 500 K and 100 MPa
• Speed-of-Sound Measurements in Compressed Nitrogen and Dry Air
• Comprehensive Thermochemical Study of Cyclic Five- and Six-Membered N,N'-Thioureas
• Thermochemical Properties of Xanthine and Hypoxanthine Revisited
• Thermodynamic Properties of 1,4-Benzoquinones in Gaseous and Condensed Phases: Experimental and Theoretical Studies
• Binary Vapor-Liquid Equilibrium Data for Perfluorooctane with Light Gases (Oxygen, Nitrogen, and Methane)
• Thermodynamic Properties of Trimethylene Urethane (1,3-Oxazinan-2-one)
• Thermochemical Study of Methyl n-Methoxybenzoates: An Experimental and Computational Approach
• Determination of Dichlorodifluoromethane's Diffusion Coefficients in Hydrogen, Helium, Nitrogen, and Air by Reversed-Flow Inverse Gas Chromatography
• Biomass Valorization: Thermodynamics of the Guerbet Condensation Reaction
• Solubility and Diffusivity of Oxygen in Ionic Liquids
• Solubilities of oxygen and carbon dioxide in butyl methyl imidazolium tetrafluoroborate as a function of temperature and at pressures close to atmospheric
• Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers
• Solubility of Oxygen in Aqueous Solutions of KCl, K2SO4, and CaCl2 as a Function of Concentration and Temperature
• Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids
• The thermodynamic properties of 2-methylquinoline and 8 methylquinoline
• Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
• Thermodynamic Properties for 2-(1'-Hydroxycyclohexyl)cyclohexanone and Equilibrium of Dimerization of Cyclohexanone
• Solubilities of Gases in 1,1,3,3-Tetramethylguanidium Lactate at Elevated Pressures
• Experimental Study on the Thermochemistry of Some Derivatives of Piperidinol
• Thermochemistry of Some Derivatives of 2- and 4-Piperidone
• Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers
• Phosphonium-Based Ionic Liquids Analogues and Their Physical Properties
• Equilibrium Data for the Oxygen + Propane Binary System at Temperatures of (110.22, 120.13, 130.58, and 139.95) K
• Experimental and Computational Studies on the Structural and Thermodynamic Properties of Two Sulfur Heterocyclic Keto Compounds
• Sulfur-Containing Ionic Liquids. Rotating-Bomb Combustion Calorimetry and First-Principles Calculations for 1-Ethyl-3-methylimidazolium Thiocyanate
• The Joining of Measurement and Prediction: The Enthalpy of Formation of 1,4-Cubanedicarboxylic Acid
• Thermochemistry of Drugs. Experimental and First-Principles Study of Fenamates
• Energetics of Quinazoline-2,4(1H,3H)-dione: An Experimental and Computational Study
• Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione
• Thermochemical Properties of Formamide Revisited: New Experiment and Quantum Mechanical Calculations
• Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers
• Vapor Liquid Equilibrium Measurements of the Binary Mixtures Nitrogen + Acetone and Oxygen + Acetone
• Experimental and Computational Study of the Thermodynamic Properties of 9-Fluorenone and 9-Fluorenol
• Pressure-density-temperature measurements of binary mixtures rich in CO2 for CCS applications
• Oxygen Solubility Measurements in a MEA/H2O/CO2 Mixture
• Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation
• Energetics and Reactivity of Morpholine and Thiomorpholine: A Joint Experimental and Computational Study
• Thermochemical Parameters of the Chloronitrophenol Isomers: A Combined Experimental and Theoretical Investigation
• Thermal Analysis and Calorimetric Study of 4-Dimethylaminopyridine
• Standard Molar Enthalpies of Formation and Thermal Stabilities of Artemisinin and Its Two Derivatives: Artemether and Artesunate
• Experimental and Computational Thermochemistry of 1,3-Benzodioxole Derivatives
• Molar Heat Capacities, Thermodynamic Properties, and Thermal Stability of trans-4-(Aminomethyl)cyclohexanecarboxylic Acid
• Measurement and Prediction of Oxygen Solubility in Toluene at Temperatures from 298.45 K to 393.15 K and Pressures up to 1.0 MPa
• Low-Temperature Heat Capacities and Standard Molar Enthalpy of Formation of L-3-(3,4-Dihydroxyphenyl) Alanine (C9H11NO4)
• Thermochemical Study of Three Hindered Pyridine Derivatives
• Gas Solubilities (CO2, O2, Ar, N2, H2, and He) in Liquid Chlorinated Methanes
• Heat Capacities and Thermodynamic Properties of (3,4-Dimethoxyphenyl) Acetonitrile (C10H11NO2)
• Vapor-Liquid Equilibrium Data of the Binary Systems in Oxidative Carbonylation of Dimethyl Ether Synthesizing Dimethyl Carbonate
• Energetics of Hydroxytetralones: A Calorimetric and Computational Thermochemical Study
• Solubility of the Single Gases Carbon Monoxide and Oxygen in the Ionic Liquid [hmim][Tf2N]
• Synthesis, Characterization, and Thermodynamic Study of Barium Benzoate Ba(C7H5O2)2(s)
• Experimental and Computational Thermochemical Study of the Three Monofluorophenol Isomers
• Thermodynamics of Ethyl Decanoate
• Low-Temperature Heat Capacities and Standard Molar Enthalpy of Formation of Potassium Hydrogen Phthalate C8H5KO4(s)
• Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
• Thermodynamics of Sodium 5-Nitroisophthalic Acid Monohydrate
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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