Chemical Properties of Cyclohexanol, 2-methyl- (CAS 583-59-5)

InChI

InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3

InChI Key

NDVWOBYBJYUSMF-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CC1CCCCC1O

Molecular Weight¹

114.19

CAS

583-59-5

Other Names

• 1-Methyl-2-cyclohexanol
• 2-Methyl-1-cyclohexanol
• 2-Methylcyclohexyl alcohol
• 2-methylcyclohexanol
• 2-methylcyclohexanol, mixed isomers
• Cyclohexanol, o-methyl-
• NSC 75845
• cis-2-Methylcyclohexanol
• o-Methylcyclohexanol

• ω : Acentric Factor.
• 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).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.4657		Relay (1.0) Calculated Property
ΔcH°liquid	-4380.20	kJ/mol	NIST
ΔfG°	-112.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.88	kJ/mol	Joback Calculated Property
ΔvapH°	63.30	kJ/mol	NIST
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	1.557		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Pc	3782.33	kPa	Joback Calculated Property
Inp	[941.00; 973.00]
Inp	946.00		NIST
Inp	973.00		NIST
Inp	941.00		NIST
Inp	941.00		NIST
Inp	941.00		NIST
Tboil	[437.70; 441.65]	K
Tboil	437.70	K	NIST
Tboil	441.65 ± 0.50	K	NIST
Tboil	440.70 ± 1.00	K	NIST
Tc	650.27	K	Relay (1.0) Calculated Property
Tfus	252.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.368	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[199.60; 267.44]	J/mol×K	[290.00; 298.15]
Cp,liquid	199.60	J/mol×K	290.00	NIST
Cp,liquid	267.44	J/mol×K	298.15	NIST
ΔvapH	51.70	kJ/mol	400.00	NIST
n0	1.46313		293.10	Vapor-Liquid Equilibria in the 2-Methylcyclohexanol + 2-Methylcyclohexyl Ethanoate System at 101.325 kPa
γ	[0.03; 0.03]	N/m	[293.15; 323.15]
γ	0.03	N/m	293.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	298.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	303.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	308.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	313.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	318.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
γ	0.03	N/m	323.15	Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.63; 390.87]	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			-5.78500e+01
Coefficient B			7.98420e-01
Coefficient C			-4.13000e-04
Coefficient D			6.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.63	J/mol×K	273.00	Calculated Property
Cp,gas	175.73	J/mol×K	353.78	Calculated Property
Cp,gas	216.31	J/mol×K	434.56	Calculated Property
Cp,gas	252.59	J/mol×K	515.33	Calculated Property
Cp,gas	284.75	J/mol×K	596.11	Calculated Property
Cp,gas	313.00	J/mol×K	676.89	Calculated Property
Cp,gas	337.53	J/mol×K	757.67	Calculated Property
Cp,gas	358.56	J/mol×K	838.44	Calculated Property
Cp,gas	376.27	J/mol×K	919.22	Calculated Property
Cp,gas	390.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0234065; 0.0002314]	Pa×s	[252.15; 461.56]	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			-1.39302e+01
Coefficient B			2.56573e+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.			252.15
Temperature range, max.			461.56
η	0.0234065	Pa×s	252.15	Calculated Property
η	0.0099082	Pa×s	275.42	Calculated Property
η	0.0047954	Pa×s	298.69	Calculated Property
η	0.0025775	Pa×s	321.95	Calculated Property
η	0.0015064	Pa×s	345.22	Calculated Property
η	0.0009421	Pa×s	368.49	Calculated Property
η	0.0006230	Pa×s	391.76	Calculated Property
η	0.0004316	Pa×s	415.03	Calculated Property
η	0.0003108	Pa×s	438.30	Calculated Property
η	0.0002314	Pa×s	461.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[341.12; 459.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.70042e+01
Coefficient B			-4.61743e+03
Coefficient C			-6.49020e+01
Temperature range, min.			341.12
Temperature range, max.			459.80
Pvap	1.33	kPa	341.12	Calculated Property
Pvap	2.86	kPa	354.31	Calculated Property
Pvap	5.72	kPa	367.49	Calculated Property
Pvap	10.82	kPa	380.68	Calculated Property
Pvap	19.45	kPa	393.87	Calculated Property
Pvap	33.41	kPa	407.05	Calculated Property
Pvap	55.13	kPa	420.24	Calculated Property
Pvap	87.77	kPa	433.43	Calculated Property
Pvap	135.31	kPa	446.61	Calculated Property
Pvap	202.65	kPa	459.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.02]	N/m	[280.15; 438.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.34826e-02
Coefficient B			-7.70000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			280.15
Temperature range, max.			438.15
γ	0.03	N/m	280.15	Calculated Property
γ	0.03	N/m	297.71	Calculated Property
γ	0.03	N/m	315.26	Calculated Property
γ	0.03	N/m	332.82	Calculated Property
γ	0.03	N/m	350.37	Calculated Property
γ	0.03	N/m	367.93	Calculated Property
γ	0.02	N/m	385.48	Calculated Property
γ	0.02	N/m	403.04	Calculated Property
γ	0.02	N/m	420.59	Calculated Property
γ	0.02	N/m	438.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 2-methyl-.

Mixtures

• Cyclohexanol, 2-methyl- + 1,2-Ethanediol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
• Vapor-Liquid Equilibria in the 2-Methylcyclohexanol + 2-Methylcyclohexyl Ethanoate System at 101.325 kPa
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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