Chemical Properties of Thiophene, tetrahydro- (CAS 110-01-0)

InChI

InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2

InChI Key

RAOIDOHSFRTOEL-UHFFFAOYSA-N

Formula

C4H8S

SMILES

C1CCSC1

Molecular Weight¹

88.17

CAS

110-01-0

Other Names

• NSC 5272
• Pennodorant 1013
• THT
• Tetrahydrothiofen
• Tetrahydrothiophen
• Tetramethylene sulphide
• Thilane
• Thiofan
• Thiolan
• Thiophane
• UN 2412
• tetrahydrothiophene
• tetramethylene sulfide
• thiacyclopentane
• thiolane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1988		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	849.10	kJ/mol	NIST
BasG	819.30	kJ/mol	NIST
ΔcH°liquid	[-3246.80; -3246.20]	kJ/mol
ΔcH°liquid	-3246.80 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-3246.20 ± 1.30	kJ/mol	NIST
ΔfH°gas	[-34.50; -33.60]	kJ/mol
ΔfH°gas	-33.60 ± 1.20	kJ/mol	NIST
ΔfH°gas	-34.50 ± 1.50	kJ/mol	NIST
ΔfH°liquid	[-73.10; -72.80]	kJ/mol
ΔfH°liquid	-72.80 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-73.10 ± 1.50	kJ/mol	NIST
ΔfusH°	2.64	kJ/mol	Joback Calculated Property
ΔvapH°	[38.60; 39.46]	kJ/mol
ΔvapH°	39.46	kJ/mol	NIST
ΔvapH°	38.80	kJ/mol	NIST
ΔvapH°	39.20 ± 0.30	kJ/mol	NIST
ΔvapH°	39.20	kJ/mol	NIST
ΔvapH°	38.60	kJ/mol	NIST
ΔvapH°	38.80	kJ/mol	NIST
IE	[8.38; 8.62]	eV
IE	8.38	eV	NIST
IE	8.38	eV	NIST
IE	8.62 ± 0.05	eV	NIST
IE	8.62	eV	NIST
IE	8.57 ± 0.15	eV	NIST
IE	8.40	eV	NIST
logPoct/wat	1.513		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	[5167.57; 5400.00]	kPa
Pc	5400.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Pc	5167.57	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[772.00; 839.00]
Inp	821.00		NIST
Inp	832.50		NIST
Inp	806.30		NIST
Inp	812.60		NIST
Inp	834.00		NIST
Inp	805.00		NIST
Inp	839.00		NIST
Inp	775.00		NIST
Inp	772.00		NIST
Inp	839.00		NIST
Inp	775.00		NIST
Inp	772.00		NIST
Inp	821.00		NIST
Inp	806.00		NIST
Inp	813.00		NIST
Inp	838.00		NIST
Inp	779.00		NIST
Inp	782.00		NIST
Inp	802.00		NIST
Inp	801.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	778.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	778.00		NIST
Inp	787.00		NIST
Inp	801.00		NIST
Inp	782.00		NIST
Inp	800.00		NIST
Inp	815.00		NIST
Inp	838.00		NIST
Inp	775.00		NIST
Inp	778.00		NIST
Inp	821.00		NIST
Inp	805.00		NIST
Inp	787.00		NIST
Ip	[1107.00; 1130.00]
Ip	1107.00		NIST
Ip	1109.00		NIST
Ip	1130.00		NIST
Ip	1130.00		NIST
Ip	1107.00		NIST
Ip	1130.00		NIST
S°liquid	207.82	J/mol×K	NIST
Tboil	[391.95; 396.00]	K
Tboil	394.05	K	KDB
Tboil	392.20	K	NIST
Tboil	393.70	K	NIST
Tboil	394.30	K	NIST
Tboil	396.00 ± 3.00	K	NIST
Tboil	394.26 ± 0.10	K	NIST
Tboil	392.00 ± 0.50	K	NIST
Tboil	391.95 ± 0.50	K	NIST
Tc	[632.00; 634.60]	K
Tc	634.60	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	632.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value
Tc	632.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	632.00	K	NIST
Tc	632.00 ± 1.00	K	NIST
Tfus	[174.35; 177.15]	K
Tfus	177.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	174.35 ± 1.00	K	NIST
Tfus	174.35 ± 1.00	K	NIST
Ttriple	[176.98; 176.99]	K
Ttriple	176.99	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	176.98 ± 0.06	K	NIST
Ttriple	176.98 ± 0.06	K	NIST
Vc	0.265	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate 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,liquid	140.16	J/mol×K	298.15	NIST
ΔfusH	[7.35; 7.35]	kJ/mol	[176.98; 177.00]
ΔfusH	7.35	kJ/mol	176.98	NIST
ΔfusH	7.35	kJ/mol	176.98	NIST
ΔfusH	7.35	kJ/mol	177.00	NIST
ΔfusH	7.35	kJ/mol	177.00	NIST
ΔvapH	[34.66; 37.70]	kJ/mol	[366.00; 394.30]
ΔvapH	37.70	kJ/mol	366.00	NIST
ΔvapH	37.10	kJ/mol	388.50	NIST
ΔvapH	37.10	kJ/mol	388.50	NIST
ΔvapH	34.66	kJ/mol	394.30	NIST
Pvap	[2.10; 102.02]	kPa	[293.97; 394.05]
Pvap	2.10	kPa	293.97	Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
Pvap	5.90	kPa	312.87	Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
Pvap	7.30	kPa	318.34	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	6.90	kPa	318.35	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	6.70	kPa	318.35	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	20.39	kPa	344.79	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	21.40	kPa	346.14	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	22.50	kPa	346.97	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	22.20	kPa	346.97	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	22.20	kPa	347.07	Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
Pvap	32.09	kPa	357.27	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	42.29	kPa	365.30	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	52.61	kPa	372.09	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	63.09	kPa	377.89	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	71.89	kPa	382.18	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	81.18	kPa	386.25	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	91.67	kPa	390.38	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Pvap	102.02	kPa	394.05	Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
ΔfusS	[41.54; 41.54]	J/mol×K	[176.98; 176.98]
ΔfusS	41.54	J/mol×K	176.98	NIST
ΔfusS	41.54	J/mol×K	176.98	NIST
λliquid	[0.11; 0.12]	W/m×K	[273.15; 333.15]
λliquid	0.12	W/m×K	273.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λliquid	0.12	W/m×K	288.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λliquid	0.12	W/m×K	303.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λliquid	0.11	W/m×K	318.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λliquid	0.11	W/m×K	333.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[79.39; 228.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.53500e+01
Coefficient B			5.56410e-01
Coefficient C			-3.95300e-04
Coefficient D			1.12900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	79.39	J/mol×K	273.00	Calculated Property
Cp,gas	107.02	J/mol×K	353.78	Calculated Property
Cp,gas	131.06	J/mol×K	434.56	Calculated Property
Cp,gas	151.86	J/mol×K	515.33	Calculated Property
Cp,gas	169.78	J/mol×K	596.11	Calculated Property
Cp,gas	185.17	J/mol×K	676.89	Calculated Property
Cp,gas	198.40	J/mol×K	757.67	Calculated Property
Cp,gas	209.82	J/mol×K	838.44	Calculated Property
Cp,gas	219.79	J/mol×K	919.22	Calculated Property
Cp,gas	228.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[286.00; 419.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44868e+01
Coefficient B			-3.46209e+03
Coefficient C			-4.21760e+01
Temperature range, min.			286.00
Temperature range, max.			419.50
Pvap	1.33	kPa	286.00	Calculated Property
Pvap	3.01	kPa	300.83	Calculated Property
Pvap	6.22	kPa	315.67	Calculated Property
Pvap	11.93	kPa	330.50	Calculated Property
Pvap	21.47	kPa	345.33	Calculated Property
Pvap	36.58	kPa	360.17	Calculated Property
Pvap	59.42	kPa	375.00	Calculated Property
Pvap	92.61	kPa	389.83	Calculated Property
Pvap	139.20	kPa	404.67	Calculated Property
Pvap	202.64	kPa	419.50	Calculated Property
Pvap	[19.22; 5184.65]	kPa	[343.15; 631.95]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.59655e+01
Coefficient B			-6.72563e+03
Coefficient C			-7.52404e+00
Coefficient D			4.38631e-06
Coefficient E			0.00000e+00
Temperature range, min.			343.15
Temperature range, max.			631.95
Pvap	19.22	kPa	343.15	Calculated Property
Pvap	57.99	kPa	375.24	Calculated Property
Pvap	143.32	kPa	407.33	Calculated Property
Pvap	304.75	kPa	439.42	Calculated Property
Pvap	577.69	kPa	471.51	Calculated Property
Pvap	1002.05	kPa	503.59	Calculated Property
Pvap	1621.85	kPa	535.68	Calculated Property
Pvap	2486.16	kPa	567.77	Calculated Property
Pvap	3651.36	kPa	599.86	Calculated Property
Pvap	5184.65	kPa	631.95	Calculated Property
Pvap	[12.92; 55.02]	kPa	[333.40; 373.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61379e+01
Coefficient B			-4.55907e+03
Coefficient C			2.34600e+00
Reference			Eon, Pommier, et al., 1971
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			333.40
Temperature range, max.			373.50
Pvap	12.92	kPa	333.40	Calculated Property
Pvap	15.44	kPa	337.86	Calculated Property
Pvap	18.36	kPa	342.31	Calculated Property
Pvap	21.73	kPa	346.77	Calculated Property
Pvap	25.62	kPa	351.22	Calculated Property
Pvap	30.08	kPa	355.68	Calculated Property
Pvap	35.18	kPa	360.13	Calculated Property
Pvap	40.98	kPa	364.59	Calculated Property
Pvap	47.57	kPa	369.04	Calculated Property
Pvap	55.02	kPa	373.50	Calculated Property
Pvap	[19.91; 270.11]	kPa	[344.33; 433.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40925e+01
Coefficient B			-3.22808e+03
Coefficient C			-5.35430e+01
Reference			Osborn and Douslin, 1966
Temperature range, min.			344.33
Temperature range, max.			433.60
Pvap	19.91	kPa	344.33	Calculated Property
Pvap	28.72	kPa	354.25	Calculated Property
Pvap	40.46	kPa	364.17	Calculated Property
Pvap	55.80	kPa	374.09	Calculated Property
Pvap	75.50	kPa	384.01	Calculated Property
Pvap	100.36	kPa	393.92	Calculated Property
Pvap	131.28	kPa	403.84	Calculated Property
Pvap	169.20	kPa	413.76	Calculated Property
Pvap	215.12	kPa	423.68	Calculated Property
Pvap	270.11	kPa	433.60	Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, tetrahydro-.

Mixtures

• Thiophene, tetrahydro- + o-Xylene
• Toluene + Thiophene, tetrahydro-
• Propane + Thiophene, tetrahydro-
• Thiophene, tetrahydro- + Pentane, 2,2,4-trimethyl-
• 1-Pentene, 2,4,4-trimethyl- + Thiophene, tetrahydro-
• Butane + Thiophene, tetrahydro-
• Thiophene, tetrahydro- + Isobutane
• 1-Propene, 2-methyl- + Thiophene, tetrahydro-
• Thiophene, tetrahydro- + 2-Butene, (E)-

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 8. Organic Sulfur, Silicon, and Tin Compounds (C + H + S, Si, and Sn). J. Chem. Eng. Data 2001, 46, 480-485.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Crippen Method
• Crippen Method
• Vapor liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
• Vapor liquid equilibrium for binary system of tetrahydrothiophene + 2,2,4-trimethylpentane and tetrahydrothiophene + 2,4,4-trimethyl-1-pentene at 358.15 and 368.15 K
• Infinite dilution activity coefficient and vapour liquid equilibrium measurements for dimethylsulphide and tetrahydrothiophene with hydrocarbons
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
• Vapor-Liquid Equilibrium for Tetrahydrothiophene + n-Butane, + trans-2-Butene, + 2-Methylpropane, and + 2-Methylpropene
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.