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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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_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
ΔcH°liquid	-4568.26 ± 0.84	kJ/mol	NIST
ΔfG°	69.31	kJ/mol	Joback Calculated Property
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
log10WS	-2.22		Crippen Calculated Property
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	643.98	K	Joback Calculated Property
Tfus	202.68	K	Joback 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
Vc	0.366	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.40; 264.88]	J/mol×K	[420.74; 643.98]
Cp,gas	187.40	J/mol×K	420.74	Joback Calculated Property
Cp,gas	202.25	J/mol×K	457.95	Joback Calculated Property
Cp,gas	216.30	J/mol×K	495.15	Joback Calculated Property
Cp,gas	229.56	J/mol×K	532.36	Joback Calculated Property
Cp,gas	242.06	J/mol×K	569.56	Joback Calculated Property
Cp,gas	253.83	J/mol×K	606.77	Joback Calculated Property
Cp,gas	264.88	J/mol×K	643.98	Joback Calculated Property
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
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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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