Chemical Properties of 2-Mercaptocyclohexanol

InChI

InChI=1S/C6H12OS/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2

InChI Key

KPJQEIHXBJFQDP-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

OC1CCCCC1S

Molecular Weight¹

132.22

• 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 : 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	0.4822		Relay (1.0) Calculated Property
ΔfG°	-91.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.33	kJ/mol	Joback Calculated Property
ΔvapH°	76.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-1.07		Relay (1.0) Calculated Property
logPoct/wat	1.220		Crippen Calculated Property
McVol	106.760	ml/mol	McGowan Calculated Property
Pc	4652.99	kPa	Joback Calculated Property
I	[1765.00; 1765.00]
I	1765.00		NIST
I	1765.00		NIST
Tboil	501.98	K	Relay (1.0) Calculated Property
Tc	738.81	K	Relay (1.0) Calculated Property
Tfus	303.69	K	Relay (1.0) Calculated Property
Vc	0.369	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.75; 308.66]	J/mol×K	[506.60; 723.10]
Cp,gas	237.75	J/mol×K	506.60	Joback Calculated Property
Cp,gas	251.39	J/mol×K	542.68	Joback Calculated Property
Cp,gas	264.28	J/mol×K	578.77	Joback Calculated Property
Cp,gas	276.44	J/mol×K	614.85	Joback Calculated Property
Cp,gas	287.87	J/mol×K	650.93	Joback Calculated Property
Cp,gas	298.61	J/mol×K	687.02	Joback Calculated Property
Cp,gas	308.66	J/mol×K	723.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Mercaptocyclohexanol.

Sources

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

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