Chemical Properties of [1,1'-Bicyclohexyl]-2-ol, 5-(1,1-dimethylethyl)-

InChI

InChI=1S/C16H30O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h12-15,17H,4-11H2,1-3H3

InChI Key

MWLJRXJLIWTESD-UHFFFAOYSA-N

Formula

C16H30O

SMILES

CC(C)(C)C1CCC(O)C(C2CCCCC2)C1

Molecular Weight¹

238.42

Other Names

• 2-Cyclohexyl-4-tert-butyl cyclohexanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[284.24; 848.39]	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			-1.50170e+02
Coefficient B			1.87486e+00
Coefficient C			-1.10000e-03
Coefficient D			2.23700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.24	J/mol×K	273.00	Calculated Property
Cp,gas	385.34	J/mol×K	353.78	Calculated Property
Cp,gas	475.20	J/mol×K	434.56	Calculated Property
Cp,gas	554.50	J/mol×K	515.33	Calculated Property
Cp,gas	623.96	J/mol×K	596.11	Calculated Property
Cp,gas	684.28	J/mol×K	676.89	Calculated Property
Cp,gas	736.18	J/mol×K	757.67	Calculated Property
Cp,gas	780.36	J/mol×K	838.44	Calculated Property
Cp,gas	817.53	J/mol×K	919.22	Calculated Property
Cp,gas	848.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0098572; 0.0000837]	Pa×s	[339.60; 627.36]	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			-1.50150e+01
Coefficient B			3.53029e+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.			339.60
Temperature range, max.			627.36
η	0.0098572	Pa×s	339.60	Calculated Property
η	0.0040297	Pa×s	371.57	Calculated Property
η	0.0018982	Pa×s	403.55	Calculated Property
η	0.0009987	Pa×s	435.52	Calculated Property
η	0.0005737	Pa×s	467.49	Calculated Property
η	0.0003538	Pa×s	499.47	Calculated Property
η	0.0002312	Pa×s	531.44	Calculated Property
η	0.0001586	Pa×s	563.42	Calculated Property
η	0.0001133	Pa×s	595.39	Calculated Property
η	0.0000837	Pa×s	627.36	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Bicyclohexyl]-2-ol, 5-(1,1-dimethylethyl)-.

Sources

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

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