Chemical Properties of Phenol, 2-cyclohexyl- (CAS 119-42-6)

InChI

InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2

InChI Key

MVRPPTGLVPEMPI-UHFFFAOYSA-N

Formula

C12H16O

SMILES

Oc1ccccc1C1CCCCC1

Molecular Weight¹

176.25

CAS

119-42-6

Other Names

• Phenol, o-cyclohexyl-
• o-Cyclohexylphenol
• 2-Cyclohexylphenol

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[181.56; 527.39]	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			-1.16450e+02
Coefficient B			1.34160e+00
Coefficient C			-9.97560e-04
Coefficient D			2.99800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.56	J/mol×K	273.00	Calculated Property
Cp,gas	246.60	J/mol×K	353.78	Calculated Property
Cp,gas	302.77	J/mol×K	434.56	Calculated Property
Cp,gas	351.03	J/mol×K	515.33	Calculated Property
Cp,gas	392.32	J/mol×K	596.11	Calculated Property
Cp,gas	427.58	J/mol×K	676.89	Calculated Property
Cp,gas	457.77	J/mol×K	757.67	Calculated Property
Cp,gas	483.84	J/mol×K	838.44	Calculated Property
Cp,gas	506.73	J/mol×K	919.22	Calculated Property
Cp,gas	527.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107785; 0.0000379]	Pa×s	[327.90; 597.05]	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			-1.70670e+01
Coefficient B			4.11083e+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.			327.90
Temperature range, max.			597.05
η	0.0107785	Pa×s	327.90	Calculated Property
η	0.0037800	Pa×s	357.81	Calculated Property
η	0.0015582	Pa×s	387.71	Calculated Property
η	0.0007293	Pa×s	417.62	Calculated Property
η	0.0003778	Pa×s	447.52	Calculated Property
η	0.0002125	Pa×s	477.43	Calculated Property
η	0.0001279	Pa×s	507.33	Calculated Property
η	0.0000815	Pa×s	537.24	Calculated Property
η	0.0000544	Pa×s	567.14	Calculated Property
η	0.0000379	Pa×s	597.05	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-cyclohexyl-.

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

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