Chemical Properties of Benzene, nitro- (CAS 98-95-3)

InChI

InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChI Key

LQNUZADURLCDLV-UHFFFAOYSA-N

Formula

C6H5NO2

SMILES

O=[N+]([O-])c1ccccc1

Molecular Weight¹

123.11

CAS

98-95-3

Other Names

• Essence of Mirbane
• Essence of Myrbane
• Mirbane oil
• NCI-C60082
• NSC 9573
• Nitrobenzeen
• Nitrobenzen
• Nitrobenzene
• Nitrobenzol
• Oil of Mirbane
• Oil of Myrbane
• Rcra waste number U169
• UN 1662

• PAff : Proton affinity (kJ/mol).
• α_p : Isobaric thermal expansion coefficient (1/K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (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_boil : Boiling point at given pressure (K).
• T_fus : Normal melting (fusion) point (K).
• T_fus : Melting point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
PAff	800.30	kJ/mol	NIST
BasG	769.50	kJ/mol	NIST
ΔcH°liquid	[-3096.00; -3073.80]	kJ/mol
ΔcH°liquid	-3088.08 ± 0.42	kJ/mol	NIST
ΔcH°liquid	-3096.00	kJ/mol	NIST
ΔcH°liquid	-3073.80	kJ/mol	NIST
η	0.0016860	Pa×s	Ion Pair and Triple Ion Formation by Some Tetraalkylammonium Iodides in Binary Mixtures of Carbon Tetrachloride + Nitrobenzene
EA	[0.40; 1.18]	eV
EA	1.00 ± 0.01	eV	NIST
EA	1.01 ± 0.10	eV	NIST
EA	1.00 ± 0.06	eV	NIST
EA	1.00 ± 0.02	eV	NIST
EA	1.02 ± 0.05	eV	NIST
EA	1.18 ± 0.05	eV	NIST
EA	1.10	eV	NIST
EA	0.70 ± 0.20	eV	NIST
EA	Outlier 0.40	eV	NIST
ΔfH°gas	68.53 ± 0.67	kJ/mol	NIST
ΔfH°liquid	[-16.00; 12.50]	kJ/mol
ΔfH°liquid	12.50 ± 0.54	kJ/mol	NIST
ΔfH°liquid	-16.00	kJ/mol	NIST
ΔfusH°	16.70	kJ/mol	Joback Calculated Property
ΔvapH°	[54.50; 56.10]	kJ/mol
ΔvapH°	54.50	kJ/mol	NIST
ΔvapH°	55.01 ± 0.02	kJ/mol	NIST
ΔvapH°	55.00	kJ/mol	NIST
ΔvapH°	56.10 ± 1.70	kJ/mol	NIST
ΔvapH°	56.10 ± 1.70	kJ/mol	NIST
IE	[9.60; 10.80]	eV
IE	9.94 ± 0.08	eV	NIST
IE	9.67	eV	NIST
IE	9.80	eV	NIST
IE	10.16 ± 0.08	eV	NIST
IE	9.92	eV	NIST
IE	10.16 ± 0.08	eV	NIST
IE	9.87 ± 0.05	eV	NIST
IE	9.93	eV	NIST
IE	9.60	eV	NIST
IE	9.99	eV	NIST
IE	9.99 ± 0.01	eV	NIST
IE	9.85 ± 0.03	eV	NIST
IE	9.94 ± 0.03	eV	NIST
IE	9.90	eV	NIST
IE	9.86 ± 0.05	eV	NIST
IE	9.90 ± 0.03	eV	NIST
IE	10.16 ± 0.04	eV	NIST
IE	9.70 ± 0.10	eV	NIST
IE	9.92	eV	NIST
IE	9.86	eV	NIST
IE	9.90	eV	NIST
IE	9.92	eV	NIST
IE	9.93	eV	NIST
IE	Outlier 10.80	eV	NIST
IE	9.93	eV	NIST
IE	10.10 ± 0.10	eV	NIST
IE	9.88 ± 0.01	eV	NIST
IE	10.26	eV	NIST
log10WS	[-1.81; -1.80]
log10WS	-1.81		Aq. Solubility Prediction
log10WS	-1.80		Estimated Solubility
logPoct/wat	1.595		Crippen Calculated Property
McVol	89.060	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	3		KDB
NFPA Safety	2		KDB
Inp	[180.05; 1114.00]
Inp	1049.40		NIST
Inp	1058.30		NIST
Inp	1066.70		NIST
Inp	1049.20		NIST
Inp	1057.40		NIST
Inp	1068.50		NIST
Inp	1048.20		NIST
Inp	1054.00		NIST
Inp	1103.00		NIST
Inp	1103.00		NIST
Inp	1085.00		NIST
Inp	1075.00		NIST
Inp	1075.00		NIST
Inp	1076.00		NIST
Inp	1114.00		NIST
Inp	1071.00		NIST
Inp	1088.00		NIST
Inp	1100.00		NIST
Inp	1100.00		NIST
Inp	1088.80		NIST
Inp	1076.00		NIST
Inp	1081.00		NIST
Inp	1059.00		NIST
Inp	1046.00		NIST
Inp	1052.00		NIST
Inp	1056.00		NIST
Inp	1066.00		NIST
Inp	1076.00		NIST
Inp	1047.00		NIST
Inp	1059.00		NIST
Inp	1062.00		NIST
Inp	1084.00		NIST
Inp	1062.00		NIST
Inp	1068.00		NIST
Inp	1062.00		NIST
Inp	1046.00		NIST
Inp	1057.00		NIST
Inp	1046.00		NIST
Inp	1046.00		NIST
Inp	Outlier 180.05		NIST
Inp	1076.00		NIST
Inp	1056.00		NIST
Inp	1088.80		NIST
Inp	1049.40		NIST
Inp	1068.50		NIST
Inp	1085.00		NIST
Inp	1071.00		NIST
Inp	1100.00		NIST
I	[1683.00; 1683.00]
I	1683.00		NIST
I	1683.00		NIST
I	1683.00		NIST
S°liquid	224.30	J/mol×K	NIST
Tboil	[478.15; 485.09]	K
Tboil	483.90	K	KDB
Tboil	483.80 ± 0.40	K	NIST
Tboil	484.00 ± 1.00	K	NIST
Tboil	484.20 ± 0.50	K	NIST
Tboil	483.70 ± 0.50	K	NIST
Tboil	484.00	K	NIST
Tboil	483.70 ± 0.50	K	NIST
Tboil	483.55 ± 0.40	K	NIST
Tboil	483.71 ± 0.40	K	NIST
Tboil	483.95 ± 0.70	K	NIST
Tboil	481.10 ± 1.00	K	NIST
Tboil	483.95 ± 0.50	K	NIST
Tboil	485.09 ± 0.25	K	NIST
Tboil	482.15 ± 1.00	K	NIST
Tboil	483.90 ± 0.50	K	NIST
Tboil	483.90 ± 0.30	K	NIST
Tboil	483.95 ± 0.30	K	NIST
Tboil	483.90 ± 0.30	K	NIST
Tboil	483.90 ± 0.50	K	NIST
Tboil	482.65 ± 0.50	K	NIST
Tboil	484.00 ± 0.40	K	NIST
Tboil	482.15 ± 2.00	K	NIST
Tboil	482.00 ± 2.00	K	NIST
Tboil	484.00 ± 0.35	K	NIST
Tboil	483.95 ± 1.00	K	NIST
Tboil	Outlier 478.15 ± 1.50	K	NIST
Tfus	[278.80; 279.15]	K
Tfus	278.81	K	KDB
Tfus	278.82	K	Aq. Solubility Prediction
Tfus	278.90 ± 0.20	K	NIST
Tfus	Outlier 279.15 ± 1.00	K	NIST
Tfus	278.90 ± 0.20	K	NIST
Tfus	278.87 ± 0.15	K	NIST
Tfus	278.89 ± 0.10	K	NIST
Tfus	Outlier 279.15 ± 0.50	K	NIST
Tfus	278.85 ± 0.50	K	NIST
Tfus	278.84 ± 0.07	K	NIST
Tfus	278.80 ± 0.08	K	NIST
Tfus	278.80 ± 0.08	K	NIST
Tfus	278.85 ± 0.20	K	NIST
Tfus	279.00 ± 1.50	K	NIST
Tfus	278.90 ± 0.30	K	NIST
Tfus	279.00 ± 1.50	K	NIST
Tfus	278.85 ± 0.20	K	NIST
Tfus	278.90 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[180.20; 230.26]	J/mol×K	[515.20; 769.26]
Cp,gas	180.20	J/mol×K	515.20	Joback Calculated Property
Cp,gas	190.50	J/mol×K	557.54	Joback Calculated Property
Cp,gas	199.95	J/mol×K	599.89	Joback Calculated Property
Cp,gas	208.60	J/mol×K	642.23	Joback Calculated Property
Cp,gas	216.51	J/mol×K	684.57	Joback Calculated Property
Cp,gas	223.71	J/mol×K	726.92	Joback Calculated Property
Cp,gas	230.26	J/mol×K	769.26	Joback Calculated Property
Cp,liquid	[176.00; 188.70]	J/mol×K	[293.00; 335.50]
Cp,liquid	180.20	J/mol×K	293.00	NIST
Cp,liquid	179.90	J/mol×K	293.00	NIST
Cp,liquid	179.95	J/mol×K	293.15	NIST
Cp,liquid	186.73	J/mol×K	298.00	NIST
Cp,liquid	177.80	J/mol×K	298.00	NIST
Cp,liquid	186.69	J/mol×K	298.10	NIST
Cp,liquid	181.13	J/mol×K	298.15	NIST
Cp,liquid	176.00	J/mol×K	303.00	NIST
Cp,liquid	177.40	J/mol×K	303.00	NIST
Cp,liquid	177.30	J/mol×K	303.15	NIST
Cp,liquid	188.70	J/mol×K	335.50	NIST
η	[0.0015286; 0.0019834]	Pa×s	[293.15; 308.15]
η	0.0019834	Pa×s	293.15	Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
η	0.0017910	Pa×s	298.15	Thermophysical Properties For Diethylene Glycol + Nitrobenzene and Triethylene Glycol + (Chloro-, Bromo-, Nitro-) Benzene Systems at Different Temperatures
η	0.0016860	Pa×s	298.15	Thermophysical Properties of Binary Mixtures of Cyclohexane + Nitrobenzene, Cyclohexanone + Nitrobenzene, and Cyclohexane + Cyclohexanone at (298.15, 303.15, and 308.15) K
η	0.0018095	Pa×s	298.15	Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
η	0.0016187	Pa×s	303.15	Thermophysical Properties of Binary Mixtures of Cyclohexane + Nitrobenzene, Cyclohexanone + Nitrobenzene, and Cyclohexane + Cyclohexanone at (298.15, 303.15, and 308.15) K
η	0.0016595	Pa×s	303.15	Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
η	0.0015430	Pa×s	308.15	Thermophysical Properties For Diethylene Glycol + Nitrobenzene and Triethylene Glycol + (Chloro-, Bromo-, Nitro-) Benzene Systems at Different Temperatures
η	0.0015543	Pa×s	308.15	Thermophysical Properties of Binary Mixtures of Cyclohexane + Nitrobenzene, Cyclohexanone + Nitrobenzene, and Cyclohexane + Cyclohexanone at (298.15, 303.15, and 308.15) K
η	0.0015286	Pa×s	308.15	Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
ΔfusH	[10.81; 12.12]	kJ/mol	[278.80; 278.90]
ΔfusH	12.12	kJ/mol	278.80	NIST
ΔfusH	12.12	kJ/mol	278.80	NIST
ΔfusH	12.12	kJ/mol	278.80	NIST
ΔfusH	10.81	kJ/mol	278.90	NIST
ΔvapH	[48.50; 56.10]	kJ/mol	[287.50; 445.00]
ΔvapH	54.70	kJ/mol	287.50	NIST
ΔvapH	56.10 ± 0.42	kJ/mol	291.00	NIST
ΔvapH	56.10 ± 0.42	kJ/mol	291.00	NIST
ΔvapH	52.50	kJ/mol	293.00	NIST
ΔvapH	54.30	kJ/mol	303.00	NIST
ΔvapH	48.90	kJ/mol	425.00	NIST
ΔvapH	48.50	kJ/mol	445.00	NIST
Pvap	[95.30; 95.50]	kPa	[481.45; 483.05]
Pvap	95.50	kPa	481.45	Vapor-liquid equilibrium and excess Gibbs energies of some binary mixtures of acrylonitrile at 95.5 kPa
Pvap	95.30	kPa	483.05	Vapor-liquid equilibrium for the binary mixtures of dimethylsulfoxide with substituted benzenes
n0	[1.54005; 1.55488]		[293.15; 318.15]
n0	1.55488		293.15	A study of densities and volumetric properties of binary mixtures containing nitrobenzene at T = (293.15 to 353.15) K
n0	1.54900		293.15	Volumetric properties of binary mixtures of tributylamine with benzene derivatives and comparison with ERAS model results at temperatures from (293.15 to 333.15) K
n0	1.55000		298.15	Excess Gibbs energies of binary mixtures formed by nitrobenzene with selected compounds at 94.95 kPa
n0	1.55000		298.15	Bubble points of the binary mixtures formed by ethylbenzene with some chloroaliphatics and substituted benzenes at p = 94.7 kPa
n0	1.54930		298.15	Physico-chemical studies of sodium tetraphenylborate and tetrabutylammonium tetraphenylborate in pure nitrobenzene and nitromethane and their binaries probed by conductometry, refractometry and FT-IR spectroscopy
n0	1.54992		298.15	Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
n0	1.55000		298.15	Bubble Temperature Measurements on the Binary Mixtures of n-Heptane or Nitrobenzene or Chlorobenzene with Some Chloroethanes and Chloroethylenes at (94.6 to 95.8) kPa
n0	1.54746		303.15	Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
n0	1.54760		303.15	Excess Volumes of Binary Solutions of Methyl Formate, Ethyl Formate, Propyl Formate, and Benzyl Acetate with Bromo-, Chloro-, and Nitrobenzenes at (303.15, 308.15, and 313.15) K
n0	1.54500		308.15	Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
n0	1.54250		313.15	Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
n0	1.54005		318.15	Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
ρl	[1163.32; 1212.99]	kg/m3	[283.15; 333.15]
ρl	1212.99	kg/m3	283.15	The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
ρl	1208.01	kg/m3	288.15	The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
ρl	1211.53	kg/m3	288.15	Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study
ρl	1202.61	kg/m3	293.15	Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study
ρl	1203.05	kg/m3	293.15	The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
ρl	1198.80	kg/m3	293.15	Isobaric Vapor Liquid Equilibrium Data of Acrylonitrile (1) + Heptan-1-ol (2), Acrylonitrile (1) + Ethanol (2), and Nitrobenzene (1) + Heptan-1-ol (2) at 96.5 kPa
ρl	1203.05	kg/m3	293.15	Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
ρl	1198.00	kg/m3	298.15	Bubble point temperatures of the binary mixtures of nitrobenzene with C1 C4 aliphatic alcohols at 94.95 kPa
ρl	1198.12	kg/m3	298.15	A combined experimental and computational investigation of excess molar enthalpies of (nitrobenzene + alkanol) mixtures
ρl	1198.20	kg/m3	298.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1198.36	kg/m3	298.15	Ionic solvation of tetrabutylammonium hexafluorophosphate in pure nitromethane, 1, 3-dioxolane and nitrobenzene: A comparative physicochemical study
ρl	1198.00	kg/m3	298.15	Bubble point measurements of binary mixtures formed by 1-hexanol with selected nitro-compounds and substituted benzenes at 95.6 kPa
ρl	1198.91	kg/m3	298.15	Partial Molar Volumes of Butyltriethylammonium Iodide in Single Nonaqueous Solvents at 298.15 K
ρl	1198.20	kg/m3	298.15	The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
ρl	1198.01	kg/m3	298.15	Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study
ρl	1193.25	kg/m3	303.15	The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
ρl	1189.60	kg/m3	303.15	Density, Viscosity, Sound Speed, and Thermoacoustical Parameters of Benzaldehyde with Chlorobenzene or Nitrobenzene at 303.15 K, 308.15 K, and 313.15 K
ρl	1193.40	kg/m3	303.15	Studies of viscosities of dilute solutions of alkylamine in non-electrolyte solvents. II. Haloalkanes and other polar solvents
ρl	1193.45	kg/m3	303.15	Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	1193.15	kg/m3	303.15	Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
ρl	1193.50	kg/m3	303.15	Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study
ρl	1193.25	kg/m3	303.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1188.17	kg/m3	308.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1188.29	kg/m3	308.15	Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	1189.40	kg/m3	308.15	Density, Viscosity, Sound Speed, and Thermoacoustical Parameters of Benzaldehyde with Chlorobenzene or Nitrobenzene at 303.15 K, 308.15 K, and 313.15 K
ρl	1183.21	kg/m3	313.15	Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
ρl	1183.69	kg/m3	313.15	Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	1183.21	kg/m3	313.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1187.20	kg/m3	313.15	Density, Viscosity, Sound Speed, and Thermoacoustical Parameters of Benzaldehyde with Chlorobenzene or Nitrobenzene at 303.15 K, 308.15 K, and 313.15 K
ρl	1178.24	kg/m3	318.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1177.32	kg/m3	318.15	Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
ρl	1173.26	kg/m3	323.15	The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
ρl	1173.27	kg/m3	323.15	Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
ρl	1163.32	kg/m3	333.15	Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
ΔfusS	[38.80; 43.48]	J/mol×K	[278.80; 278.90]
ΔfusS	43.48	J/mol×K	278.80	NIST
ΔfusS	38.80	J/mol×K	278.90	NIST
γ	[0.04; 0.04]	N/m	[303.15; 323.15]
γ	0.04	N/m	303.15	Thermo Physical Properties of 4-Hydroxy 4-Methyl Pentanone with Nitrobenzene or Ethyl Benzene at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa
γ	0.04	N/m	313.15	Thermo Physical Properties of 4-Hydroxy 4-Methyl Pentanone with Nitrobenzene or Ethyl Benzene at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa
γ	0.04	N/m	323.15	Thermo Physical Properties of 4-Hydroxy 4-Methyl Pentanone with Nitrobenzene or Ethyl Benzene at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	483.05	K	95.30	Excess enthalpies of dimethylsulfoxide with substituted benzenes at 298.15K
Tfus	[299.74; 614.38]	K	[100000.00; 3000000.00]
Tfus	299.74	K	100000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	320.77	K	200000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	340.02	K	300000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	360.41	K	400000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	378.61	K	500000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	395.90	K	600000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	412.30	K	700000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	427.24	K	800000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	442.98	K	900000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	462.61	K	1000000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	516.38	K	1500000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	565.62	K	2000000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	595.88	K	2500000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
Tfus	614.38	K	3000000.00	Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa

Datasets

1. Isobaric coefficient of expansion, 1/K (1)
2. Speed of sound, m/s (1)

Isobaric coefficient of expansion, 1/K

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Isobaric coefficient of expansion, 1/K - Liquid
288.15	5000.00	0.0008
288.15	10000.00	0.0008
288.15	15000.00	0.0008
288.15	20000.00	0.0008
288.15	25000.00	0.0008
288.15	30000.00	0.0008
288.15	35000.00	0.0007
288.15	40000.00	0.0007
288.15	45000.00	0.0007
288.15	50000.00	0.0007
288.15	55000.00	0.0007
298.15	5000.00	0.0008
298.15	10000.00	0.0008
298.15	15000.00	0.0008
298.15	20000.00	0.0008
298.15	25000.00	0.0008
298.15	30000.00	0.0008
298.15	35000.00	0.0008
298.15	40000.00	0.0007
298.15	45000.00	0.0007
298.15	50000.00	0.0007
298.15	55000.00	0.0007
308.15	5000.00	0.0008
308.15	10000.00	0.0008
308.15	15000.00	0.0008
308.15	20000.00	0.0008
308.15	25000.00	0.0008
308.15	30000.00	0.0008
308.15	35000.00	0.0008
308.15	40000.00	0.0007
308.15	45000.00	0.0007
308.15	50000.00	0.0007
308.15	55000.00	0.0007
318.15	5000.00	0.0008
318.15	10000.00	0.0008
318.15	15000.00	0.0008
318.15	20000.00	0.0008
318.15	25000.00	0.0008
318.15	30000.00	0.0008
318.15	35000.00	0.0007
318.15	40000.00	0.0007
318.15	45000.00	0.0007
318.15	50000.00	0.0007
318.15	55000.00	0.0007
328.15	5000.00	0.0008
328.15	10000.00	0.0008
328.15	15000.00	0.0008
328.15	20000.00	0.0008
328.15	25000.00	0.0008
328.15	30000.00	0.0008
328.15	35000.00	0.0008
328.15	40000.00	0.0007
328.15	45000.00	0.0007
328.15	50000.00	0.0007
328.15	55000.00	0.0007
338.15	5000.00	0.0008
338.15	10000.00	0.0008
338.15	15000.00	0.0008
338.15	20000.00	0.0008
338.15	25000.00	0.0008
338.15	30000.00	0.0008
338.15	35000.00	0.0008
338.15	40000.00	0.0007
338.15	45000.00	0.0007
338.15	50000.00	0.0007
338.15	55000.00	0.0007
348.15	5000.00	0.0009
348.15	10000.00	0.0008
348.15	15000.00	0.0008
348.15	20000.00	0.0008
348.15	25000.00	0.0008
348.15	30000.00	0.0008
348.15	35000.00	0.0008
348.15	40000.00	0.0007
348.15	45000.00	0.0007
348.15	50000.00	0.0007
348.15	55000.00	0.0007
Reference

Speed of sound, m/s

Fixed			Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Frequency, MHz - Liquid	Speed of sound, m/s - Liquid
303.15	100.00	2.0	1445.6
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.28; 513.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53379e+01
Coefficient B			-4.64614e+03
Coefficient C			-5.05750e+01
Temperature range, min.			359.28
Temperature range, max.			513.96
Pvap	1.33	kPa	359.28	Calculated Property
Pvap	2.95	kPa	376.47	Calculated Property
Pvap	6.02	kPa	393.65	Calculated Property
Pvap	11.49	kPa	410.84	Calculated Property
Pvap	20.67	kPa	428.03	Calculated Property
Pvap	35.33	kPa	445.21	Calculated Property
Pvap	57.75	kPa	462.40	Calculated Property
Pvap	90.75	kPa	479.59	Calculated Property
Pvap	137.72	kPa	496.77	Calculated Property
Pvap	202.63	kPa	513.96	Calculated Property
Pvap	[6.43e-03; 4167.87]	kPa	[278.91; 719.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.29288e+02
Coefficient B			-1.14658e+04
Coefficient C			-1.66824e+01
Coefficient D			9.14721e-06
Temperature range, min.			278.91
Temperature range, max.			719.00
Pvap	6.43e-03	kPa	278.91	Calculated Property
Pvap	0.26	kPa	327.81	Calculated Property
Pvap	3.31	kPa	376.71	Calculated Property
Pvap	20.44	kPa	425.61	Calculated Property
Pvap	80.01	kPa	474.51	Calculated Property
Pvap	232.70	kPa	523.40	Calculated Property
Pvap	556.46	kPa	572.30	Calculated Property
Pvap	1169.96	kPa	621.20	Calculated Property
Pvap	2264.56	kPa	670.10	Calculated Property
Pvap	4167.87	kPa	719.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, nitro-.

Mixtures

• Benzene, nitro- + Benzene
• Benzene, nitro- + Toluene
• Benzene, nitro- + Benzene, ethyl-
• Benzene, nitro- + Styrene
• Benzene, nitro- + o-Xylene
• Benzene, nitro- + Benzene, 1,3-dimethyl-
• Benzene, nitro- + p-Xylene
• Benzene, nitro- + TETRABUTYLAMMONIUM HEXAFLUOROPHOSPHATE
• Benzene, nitro- + Bis(2-ethylhexyl)hydrogen phosphate
• Benzene, nitro- + 1-Hexanol
• Benzene, nitro- + Methyl Alcohol
• Benzene, nitro- + Ethanol
• Benzene, nitro- + 1-Propanol
• Benzene, nitro- + 2-Propanol
• Benzene, nitro- + 1-Butanol
• Benzene, nitro- + 1-Propanol, 2-methyl-
• 2-Propanol, 2-methyl- + Benzene, nitro-
• Benzene, nitro- + Triethylamine
• Benzene, nitro- + 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
• Benzene, nitro- + Methane, nitro-

Find more mixtures with Benzene, nitro-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Thermophysical Properties For Diethylene Glycol + Nitrobenzene and Triethylene Glycol + (Chloro-, Bromo-, Nitro-) Benzene Systems at Different Temperatures
• Density, Viscosity, Sound Speed, and Thermoacoustical Parameters of Benzaldehyde with Chlorobenzene or Nitrobenzene at 303.15 K, 308.15 K, and 313.15 K
• Excess Gibbs energies of binary mixtures formed by nitrobenzene with selected compounds at 94.95 kPa
• Solution thermodynamics near the liquid liquid critical point I. First-order excess derivatives
• Vapor-liquid equilibrium for the binary mixtures of dimethylsulfoxide with substituted benzenes
• Excess enthalpies of dimethylsulfoxide with substituted benzenes at 298.15K
• Vapor-liquid equilibrium and excess Gibbs energies of some binary mixtures of acrylonitrile at 95.5 kPa
• Bubble point measurements of binary mixtures formed by 1-hexanol with selected nitro-compounds and substituted benzenes at 95.6 kPa
• Ionic solvation of tetrabutylammonium hexafluorophosphate in pure nitromethane, 1, 3-dioxolane and nitrobenzene: A comparative physicochemical study
• The liquid-liquid coexistence curves of {x nitrobenzene + (1 - x) 2-methylpentane} and {x nitrobenzene + (1 - x) isooctane} in the critical region
• Liquid-liquid equilibrium data for binary systems containing o-dichlorobenzene and nitrobenzene
• A study of densities and volumetric properties of binary mixtures containing nitrobenzene at T = (293.15 to 353.15) K
• Bubble point temperatures of the binary mixtures of nitrobenzene with C1 C4 aliphatic alcohols at 94.95 kPa
• Bubble points of the binary mixtures formed by ethylbenzene with some chloroaliphatics and substituted benzenes at p = 94.7 kPa
• Volumetric properties of dichloromethane with aniline or nitrobenzene at different temperatures: A theoretical and experimental study
• Volumetric properties of binary mixtures of tributylamine with benzene derivatives and comparison with ERAS model results at temperatures from (293.15 to 333.15) K
• Studies on intermolecular interactions in nitrobenzene + alkoxyethanol binary mixtures by relative permittivity measurements at T = (293.15, 298.15, 303.15, 308.15 and 313.15) K
• Physico-chemical studies of sodium tetraphenylborate and tetrabutylammonium tetraphenylborate in pure nitrobenzene and nitromethane and their binaries probed by conductometry, refractometry and FT-IR spectroscopy
• Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs. quantum chemical calculations
• The density, refractive index, and thermodynamic behaviour of binary mixtures of 1,3-Diethenyl-1,1,3,3-tetramethyldisiloxane with aromatic hydrocarbons
• A combined experimental and computational investigation of excess molar enthalpies of (nitrobenzene + alkanol) mixtures
• Ultrasonic and 31P NMR investigations of an acidic nuclear extractant with some monosubstituted benzenes
• The physicochemical properties of 1,3,5-trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane with various aromatic hydrocarbons at T = (308.15 to 323.15) K
• Theoretical and experimental study on volumetric and electromagnetic properties of binary systems consisting of 1,2-dichloroethane with benzene and its derivatives at T = (293.15 to 333.15) K
• Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
• Volumetric and refractive properties of 1,3,5,7-tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane with methoxybenzene, chlorobenzene, tert-butylbenzene and nitrobenzene at T = (298.15-318.15) K
• Studies of viscosities of dilute solutions of alkylamine in non-electrolyte solvents. II. Haloalkanes and other polar solvents
• Solvation of benzene and its simple mono derivatives in water-tertiary butanol mixtures
• Volumetric and electromagnetic properties of binary mixtures consist of benzene derivatives at different temperature and ternary mixtures with 1,2-dichloroethane at T = 293.15 K with application of the Prigogine-Flory-Patterson theory and PC-SAFT
• Enthalpies of solution and enthalpies of solvation of chloro- and nitro-substituted benzenes in 1-butyl-3-methyl imidazolium based ionic liquids at 298.15 K: Additivity of group contributions
• Bubble Temperature Measurements on the Binary Mixtures of n-Heptane or Nitrobenzene or Chlorobenzene with Some Chloroethanes and Chloroethylenes at (94.6 to 95.8) kPa
• Thermophysical Properties of Binary Mixtures of Cyclohexane + Nitrobenzene, Cyclohexanone + Nitrobenzene, and Cyclohexane + Cyclohexanone at (298.15, 303.15, and 308.15) K
• Temperature Dependences of Limiting Activity Coefficients and Henry s Law Constants for Nitrobenzene, Aniline, and Cyclohexylamine in Water
• Thermodynamics of Dissolution for Bis(triazine)-Bipyridine-Class Ligands in Different Diluents and Its Reflection on Extraction
• Densities and Viscosities of Binary and Ternary Mixtures of (Nitrobenzene + 1-Bromobutane), (1-Bromobutane + Methylcyclohexane), (Nitrobenzene + Methylcyclohexane), and (Methylcyclohexane + Nitrobenzene + 1-Bromobutane) from (293.15 to 308.15) K
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Isobaric Vapor Liquid Equilibrium Data of Acrylonitrile (1) + Heptan-1-ol (2), Acrylonitrile (1) + Ethanol (2), and Nitrobenzene (1) + Heptan-1-ol (2) at 96.5 kPa
• Excess Volumes of Binary Solutions of Methyl Formate, Ethyl Formate, Propyl Formate, and Benzyl Acetate with Bromo-, Chloro-, and Nitrobenzenes at (303.15, 308.15, and 313.15) K
• Fusion Curves and Enthalpy and Internal Energy Changes of Benzene, Nitrobenzene, Bromobenzene, and Chlorobenzene at Pressures up to 3500 MPa
• Thermo Physical Properties of 4-Hydroxy 4-Methyl Pentanone with Nitrobenzene or Ethyl Benzene at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa
• Assessing the Salting-Out Behavior of Nitrobenzene, 2-Nitrotoluene, and 3-Nitrotoluene from Solubility Values in Pure Water and Seawater at Temperatures between (277 and 314) K
• Liquid-Liquid Equilibria of Nitrobenzene-Inorganic Acid Systems at 298.15 K
• Ion Pair and Triple Ion Formation by Some Tetraalkylammonium Iodides in Binary Mixtures of Carbon Tetrachloride + Nitrobenzene
• Partial Molar Volumes of Butyltriethylammonium Iodide in Single Nonaqueous Solvents at 298.15 K
• Isobaric Thermal Expansivity of Highly Polar Nitrogen Compounds at Temperatures from (278.15 to 348.15) K and at Pressures from (5 to 55) MPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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