Chemical Properties of Thiophane, propyl- (CAS 1551-34-4)

InChI

InChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3

InChI Key

RKTPCTKFTDSWND-UHFFFAOYSA-N

Formula

C7H14S

SMILES

CCCC1CCCS1

Molecular Weight¹

130.25

CAS

1551-34-4

Other Names

• 2-propyl-thiacyclopentane
• 2-Propyl-thiolane
• Thiolane, 2-propyl
• Thiophene, 2-propyltetrahydro
• Thiophene, tetrahydro, 2-propyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2759		Relay (1.0) Calculated Property
ΔfG°	84.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	49.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.682		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3395.98	kPa	Joback Calculated Property
Inp	[1013.00; 1077.00]
Inp	1037.00		NIST
Inp	1072.00		NIST
Inp	1017.00		NIST
Inp	1013.00		NIST
Inp	1017.00		NIST
Inp	1013.00		NIST
Inp	1072.00		NIST
Inp	1071.00		NIST
Inp	1077.00		NIST
Inp	1028.00		NIST
Inp	1028.00		NIST
Inp	1028.00		NIST
Inp	1037.00		NIST
Inp	1021.00		NIST
Inp	1028.00		NIST
Tboil	449.44	K	Relay (1.0) Calculated Property
Tc	662.86	K	Relay (1.0) Calculated Property
Tfus	177.96	K	Relay (1.0) Calculated Property
Vc	0.411	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.29; 390.09]	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			-4.21380e+01
Coefficient B			8.14930e-01
Coefficient C			-5.03100e-04
Coefficient D			1.20400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.29	J/mol×K	273.00	Calculated Property
Cp,gas	188.53	J/mol×K	353.78	Calculated Property
Cp,gas	226.87	J/mol×K	434.56	Calculated Property
Cp,gas	260.69	J/mol×K	515.33	Calculated Property
Cp,gas	290.38	J/mol×K	596.11	Calculated Property
Cp,gas	316.31	J/mol×K	676.89	Calculated Property
Cp,gas	338.87	J/mol×K	757.67	Calculated Property
Cp,gas	358.43	J/mol×K	838.44	Calculated Property
Cp,gas	375.38	J/mol×K	919.22	Calculated Property
Cp,gas	390.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiophane, propyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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