Chemical Properties of Cyclohexanol, 3-methyl- (CAS 591-23-1)

InChI

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

InChI Key

HTSABYAWKQAHBT-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CC1CCCC(O)C1

Molecular Weight¹

114.19

CAS

591-23-1

Other Names

• 3-Methylcyclohexanol,c&t
• 3-methyl-1-cyclohexanol, (cis+trans)
• 3-methylcyclohexanol
• 3-methylcyclohexanol, (cis+trans)
• 3-methylcyclohexanol, mixed isomers
• Cyclohexanol, m-methyl-
• cyclohexanol, 3-methyl-, (cis+trans)
• m-Methylcyclohexanol

• ω : Acentric Factor.
• 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).
• 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_np : Non-polar retention indices.
• I : 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	0.4694		Relay (1.0) Calculated Property
ΔfG°	-112.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.88	kJ/mol	Joback Calculated Property
ΔvapH°	65.50	kJ/mol	NIST
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-1.26		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	[943.00; 950.00]
Inp	943.00		NIST
Inp	947.00		NIST
Inp	950.00		NIST
Inp	947.00		NIST
Inp	950.00		NIST
Inp	947.00		NIST
Inp	947.00		NIST
I	[1463.00; 1463.00]
I	1463.00		NIST
I	1463.00		NIST
I	1463.00		NIST
Tboil	[436.20; 444.35]	K
Tboil	436.20	K	NIST
Tboil	444.35 ± 0.50	K	NIST
Tc	645.41	K	Relay (1.0) Calculated Property
Tfus	251.00	K	Relay (1.0) Calculated Property
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	201.70	J/mol×K	290.00	NIST
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	[0.0550246; 0.0002314]	Pa×s	[232.61; 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
Temperature range, min.			232.61
Temperature range, max.			461.56
η	0.0550246	Pa×s	232.61	Calculated Property
η	0.0185486	Pa×s	258.05	Calculated Property
η	0.0076001	Pa×s	283.49	Calculated Property
η	0.0036070	Pa×s	308.93	Calculated Property
η	0.0019174	Pa×s	334.37	Calculated Property
η	0.0011146	Pa×s	359.81	Calculated Property
η	0.0006960	Pa×s	385.25	Calculated Property
η	0.0004607	Pa×s	410.68	Calculated Property
η	0.0003200	Pa×s	436.12	Calculated Property
η	0.0002314	Pa×s	461.56	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 3-methyl-.

Mixtures

• 1,2-Ethanediol + Cyclohexanol, 3-methyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
• Joback Method
• McGowan Method
• NIST Webbook

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