Chemical Properties of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)- (CAS 491-02-1)

InChI

InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1

InChI Key

NOOLISFMXDJSKH-GUBZILKMSA-N

Formula

C10H20O

SMILES

CC1CCC(C(C)C)C(O)C1

Molecular Weight¹

156.27

CAS

491-02-1

Other Names

• Menthol, cis-1,3,cis-1,4-
• Neoisomenthol
• Isoneomenthol
• 2-Isopropyl-5-methylcyclohexanol, (1«alpha»,2«alpha»,5«alpha»)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfG°	-96.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-393.60	kJ/mol	Joback Calculated Property
ΔfusH°	16.20	kJ/mol	Joback Calculated Property
ΔvapH°	53.96	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.440		Crippen Calculated Property
McVol	146.770	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Inp	[1173.00; 1194.00]
Inp	1194.00		NIST
Inp	1188.00		NIST
Inp	1183.00		NIST
Inp	1188.00		NIST
Inp	1188.00		NIST
Inp	1193.00		NIST
Inp	1182.00		NIST
Inp	1180.00		NIST
Inp	1186.00		NIST
Inp	1188.00		NIST
Inp	1192.00		NIST
Inp	1187.00		NIST
Inp	1189.00		NIST
Inp	Outlier 1173.00		NIST
Inp	1193.00		NIST
Inp	1180.00		NIST
Inp	1176.00		NIST
Inp	1193.00		NIST
Inp	1183.00		NIST
I	[1605.00; 1646.00]
I	1646.00		NIST
I	1622.00		NIST
I	1641.00		NIST
I	1605.00		NIST
I	1622.00		NIST
I	1641.00		NIST
Tboil	530.15	K	Joback Calculated Property
Tc	719.67	K	Joback Calculated Property
Tfus	247.18	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.36; 463.40]	J/mol×K	[530.15; 719.67]
Cp,gas	370.36	J/mol×K	530.15	Joback Calculated Property
Cp,gas	387.84	J/mol×K	561.74	Joback Calculated Property
Cp,gas	404.52	J/mol×K	593.32	Joback Calculated Property
Cp,gas	420.40	J/mol×K	624.91	Joback Calculated Property
Cp,gas	435.50	J/mol×K	656.49	Joback Calculated Property
Cp,gas	449.82	J/mol×K	688.08	Joback Calculated Property
Cp,gas	463.40	J/mol×K	719.67	Joback Calculated Property
η	[0.0001446; 0.0430815]	Pa×s	[247.18; 530.15]
η	0.0430815	Pa×s	247.18	Joback Calculated Property
η	0.0077902	Pa×s	294.34	Joback Calculated Property
η	0.0022592	Pa×s	341.50	Joback Calculated Property
η	0.0008847	Pa×s	388.66	Joback Calculated Property
η	0.0004244	Pa×s	435.83	Joback Calculated Property
η	0.0002350	Pa×s	482.99	Joback Calculated Property
η	0.0001446	Pa×s	530.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.