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 : 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 thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1874		Relay (1.0) Calculated Property
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	5138.68	kPa	Joback Calculated Property
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
I	[1107.00; 1130.00]
I	1107.00		NIST
I	1109.00		NIST
I	1130.00		NIST
I	1130.00		NIST
I	1107.00		NIST
I	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	NIST
Tc	632.00 ± 1.00	K	NIST
Tfus	[174.35; 174.35]	K
Tfus	174.35 ± 1.00	K	NIST
Tfus	174.35 ± 1.00	K	NIST
Ttriple	[176.98; 176.98]	K
Ttriple	176.98 ± 0.06	K	NIST
Ttriple	176.98 ± 0.06	K	NIST

Cheméo can also estimate Critical Volume, 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	[108.58; 165.58]	J/mol×K	[358.70; 576.06]
Cp,gas	108.58	J/mol×K	358.70	Joback Calculated Property
Cp,gas	119.69	J/mol×K	394.93	Joback Calculated Property
Cp,gas	130.11	J/mol×K	431.15	Joback Calculated Property
Cp,gas	139.88	J/mol×K	467.38	Joback Calculated Property
Cp,gas	149.03	J/mol×K	503.61	Joback Calculated Property
Cp,gas	157.58	J/mol×K	539.83	Joback Calculated Property
Cp,gas	165.58	J/mol×K	576.06	Joback Calculated Property
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
λ	[0.11; 0.12]	W/m×K	[273.15; 333.15]
λ	0.12	W/m×K	273.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.12	W/m×K	288.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.12	W/m×K	303.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.11	W/m×K	318.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	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
Pvap	[1.33; 202.64]	kPa	[286.00; 419.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.59655e+01
Coefficient B			-6.72563e+03
Coefficient C			-7.52404e+00
Coefficient D			4.38631e-06
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

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
• Cheméo Relay (1.0)
• 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

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