Chemical Properties of Cyclohexane, (methylthio)- (CAS 7133-37-1)

InChI

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

InChI Key

QQBIOCGHCKNYGP-UHFFFAOYSA-N

Formula

C7H14S

SMILES

CSC1CCCCC1

Molecular Weight¹

130.25

CAS

7133-37-1

Other Names

• Sulfide, cyclohexyl methyl
• Cyclohexyl methyl sulfide
• Methylcyclohexylsulfide
• Methylthiocyclohexane
• c-C6H11SCH3
• Methylsulfanylcyclohexane

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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.
• I : 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
PAff	864.50	kJ/mol	NIST
BasG	833.30	kJ/mol	NIST
ΔfG°	65.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-91.62	kJ/mol	Joback Calculated Property
ΔfusH°	9.85	kJ/mol	Joback Calculated Property
ΔvapH°	38.42	kJ/mol	Joback Calculated Property
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.682		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[916.00; 931.00]
Inp	916.00		NIST
Inp	931.00		NIST
Inp	916.00		NIST
I	[1684.00; 1684.00]
I	1684.00		NIST
I	1684.00		NIST
Tboil	447.89	K	Joback Calculated Property
Tc	677.25	K	Joback Calculated Property
Tfus	210.43	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.31; 316.72]	J/mol×K	[447.89; 677.25]
Cp,gas	227.31	J/mol×K	447.89	Joback Calculated Property
Cp,gas	244.48	J/mol×K	486.12	Joback Calculated Property
Cp,gas	260.72	J/mol×K	524.34	Joback Calculated Property
Cp,gas	276.05	J/mol×K	562.57	Joback Calculated Property
Cp,gas	290.48	J/mol×K	600.80	Joback Calculated Property
Cp,gas	304.03	J/mol×K	639.03	Joback Calculated Property
Cp,gas	316.72	J/mol×K	677.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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