Chemical Properties of Cyclopentane, (methylthio)- (CAS 7133-36-0)

InChI

InChI=1S/C6H12S/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3

InChI Key

OTQVGYMGQKHLMY-UHFFFAOYSA-N

Formula

C6H12S

SMILES

CSC1CCCC1

Molecular Weight¹

116.22

CAS

7133-36-0

Other Names

• Sulfide, cyclopentyl methyl
• Cyclopentyl methyl sulfide
• Methyl cyclopentyl sulfide
• Methylthiocyclopentane
• Cyclopentyl methyl sulphide
• (Methylsulfanyl)cyclopentane
• Cyclopentyl-1-thiaethane

• 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).
• 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.
• 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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4568.26 ± 0.84	kJ/mol	NIST
ΔfH°gas	-64.35 ± 0.96	kJ/mol	NIST
ΔfH°liquid	-109.50 ± 0.92	kJ/mol	NIST
ΔfusH°	9.36	kJ/mol	Joback Calculated Property
ΔvapH°	[45.10; 45.20]	kJ/mol
ΔvapH°	45.10 ± 0.20	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
ΔvapH°	45.10 ± 0.10	kJ/mol	NIST
logPoct/wat	2.292		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	[918.00; 943.00]
Inp	943.00		NIST
Inp	918.00		NIST
Inp	943.00		NIST
S°liquid	285.47	J/mol×K	NIST
Tboil	431.70	K	NIST
Tc	654.94	K	Relay (1.0) Calculated Property
Ttriple	[169.34; 169.86]	K
Ttriple	169.34 ± 0.04	K	NIST
Ttriple	169.85 ± 0.04	K	NIST
Ttriple	169.86 ± 0.06	K	NIST
Ttriple	169.86 ± 0.06	K	NIST
Ttriple	169.34 ± 0.04	K	NIST
Ttriple	169.85 ± 0.04	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	192.92	J/mol×K	298.15	NIST
ΔfusH	[0.90; 9.20]	kJ/mol	[165.00; 169.90]
ΔfusH	0.90	kJ/mol	165.00	NIST
ΔfusH	9.20	kJ/mol	169.90	NIST
ΔfusH	9.20	kJ/mol	169.90	NIST
ΔfusH	9.20	kJ/mol	169.90	NIST
ΔvapH	41.70	kJ/mol	413.50	NIST
ΔfusS	[5.44; 54.31]	J/mol×K	[165.00; 169.90]
ΔfusS	5.44	J/mol×K	165.00	NIST
ΔfusS	54.31	J/mol×K	169.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.04; 338.76]	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			-4.34500e+01
Coefficient B			6.99910e-01
Coefficient C			-3.89800e-04
Coefficient D			7.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.04	J/mol×K	273.00	Calculated Property
Cp,gas	158.57	J/mol×K	353.78	Calculated Property
Cp,gas	193.01	J/mol×K	434.56	Calculated Property
Cp,gas	223.59	J/mol×K	515.33	Calculated Property
Cp,gas	250.53	J/mol×K	596.11	Calculated Property
Cp,gas	274.07	J/mol×K	676.89	Calculated Property
Cp,gas	294.44	J/mol×K	757.67	Calculated Property
Cp,gas	311.86	J/mol×K	838.44	Calculated Property
Cp,gas	326.55	J/mol×K	919.22	Calculated Property
Cp,gas	338.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[9.58; 270.14]	kPa	[355.89; 472.12]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39756e+01
Coefficient B			-3.41561e+03
Coefficient C			-6.43660e+01
Reference			Osborn and Douslin, 1966
Temperature range, min.			355.89
Temperature range, max.			472.12
Pvap	9.58	kPa	355.89	Calculated Property
Pvap	15.74	kPa	368.80	Calculated Property
Pvap	24.85	kPa	381.72	Calculated Property
Pvap	37.85	kPa	394.63	Calculated Property
Pvap	55.86	kPa	407.55	Calculated Property
Pvap	80.14	kPa	420.46	Calculated Property
Pvap	112.11	kPa	433.38	Calculated Property
Pvap	153.31	kPa	446.29	Calculated Property
Pvap	205.40	kPa	459.21	Calculated Property
Pvap	270.14	kPa	472.12	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, (methylthio)-.

Sources

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

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.
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