Chemical Properties of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«beta»)- (CAS 490-99-3)

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+/m1/s1

InChI Key

NOOLISFMXDJSKH-BBBLOLIVSA-N

Formula

C10H20O

SMILES

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

Molecular Weight¹

156.27

CAS

490-99-3

Other Names

• Menthol, trans-1,3,cis-1,4-
• Isomenthol
• Isomentol
• 2-Isopropyl-5-methylcyclohexanol, (1«alpha»,2«beta»,5«beta»)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-347.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.20	kJ/mol	Joback Calculated Property
ΔvapH°	74.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
logPoct/wat	2.440		Crippen Calculated Property
McVol	146.770	ml/mol	McGowan Calculated Property
Inp	[1141.00; 1221.00]
Inp	1174.00		NIST
Inp	1174.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
Inp	1178.00		NIST
Inp	Outlier 1221.00		NIST
Inp	1155.00		NIST
Inp	1182.20		NIST
Inp	1192.00		NIST
Inp	1188.00		NIST
Inp	1192.00		NIST
Inp	1162.00		NIST
Inp	1177.00		NIST
Inp	1197.00		NIST
Inp	1179.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
Inp	1178.00		NIST
Inp	1184.00		NIST
Inp	1171.00		NIST
Inp	Outlier 1141.00		NIST
Inp	1178.00		NIST
Inp	1185.00		NIST
Inp	1185.00		NIST
Inp	1178.00		NIST
Inp	1154.00		NIST
Inp	1183.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
Inp	1176.00		NIST
Inp	1174.00		NIST
Inp	1162.00		NIST
Inp	1182.00		NIST
Inp	1178.00		NIST
Inp	1188.00		NIST
Ip	[1639.00; 1684.00]
Ip	1667.00		NIST
Ip	1655.00		NIST
Ip	1639.00		NIST
Ip	1653.00		NIST
Ip	1660.00		NIST
Ip	1684.00		NIST
Ip	1678.00		NIST
Ip	1667.00		NIST
Ip	1667.00		NIST
Ip	1655.00		NIST
Ip	1639.00		NIST
Tboil	486.65	K	Relay (1.0) Calculated Property
Tc	685.53	K	Relay (1.0) Calculated Property
Tfus	299.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.22; 552.84]	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			-5.63200e+01
Coefficient B			1.06286e+00
Coefficient C			-5.24000e-04
Coefficient D			7.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.22	J/mol×K	273.00	Calculated Property
Cp,gas	257.23	J/mol×K	353.78	Calculated Property
Cp,gas	312.37	J/mol×K	434.56	Calculated Property
Cp,gas	361.87	J/mol×K	515.33	Calculated Property
Cp,gas	405.95	J/mol×K	596.11	Calculated Property
Cp,gas	444.84	J/mol×K	676.89	Calculated Property
Cp,gas	478.74	J/mol×K	757.67	Calculated Property
Cp,gas	507.90	J/mol×K	838.44	Calculated Property
Cp,gas	532.52	J/mol×K	919.22	Calculated Property
Cp,gas	552.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0430815; 0.0001872]	Pa×s	[247.18; 503.96]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38184e+01
Coefficient B			2.63834e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			247.18
Temperature range, max.			503.96
η	0.0430815	Pa×s	247.18	Calculated Property
η	0.0142758	Pa×s	275.71	Calculated Property
η	0.0058194	Pa×s	304.24	Calculated Property
η	0.0027668	Pa×s	332.77	Calculated Property
η	0.0014794	Pa×s	361.30	Calculated Property
η	0.0008669	Pa×s	389.83	Calculated Property
η	0.0005464	Pa×s	418.36	Calculated Property
η	0.0003653	Pa×s	446.90	Calculated Property
η	0.0002563	Pa×s	475.43	Calculated Property
η	0.0001872	Pa×s	503.96	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.