Chemical Properties of Bicyclohexyl, 4-phenyl-

InChI

InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-18H,2,5-6,9-14H2

InChI Key

MRGBGAHKAGKZID-UHFFFAOYSA-N

Formula

C18H26

SMILES

c1ccc(C2CCC(C3CCCCC3)CC2)cc1

Molecular Weight¹

242.41

Other Names

• Benzene, [1,1'-bicyclohexyl]-4-yl-
• 1-Phenyl-4-cyclohexylcyclohexane
• [1,1'-bicyclohexyl]-4-ylbenzene

• 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.
• 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, 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	[256.10; 806.25]	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			-1.72650e+02
Coefficient B			1.85260e+00
Coefficient C			-1.09320e-03
Coefficient D			2.19500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.10	J/mol×K	273.00	Calculated Property
Cp,gas	355.65	J/mol×K	353.78	Calculated Property
Cp,gas	443.98	J/mol×K	434.56	Calculated Property
Cp,gas	521.78	J/mol×K	515.33	Calculated Property
Cp,gas	589.73	J/mol×K	596.11	Calculated Property
Cp,gas	648.55	J/mol×K	676.89	Calculated Property
Cp,gas	698.91	J/mol×K	757.67	Calculated Property
Cp,gas	741.52	J/mol×K	838.44	Calculated Property
Cp,gas	777.07	J/mol×K	919.22	Calculated Property
Cp,gas	806.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038892; 0.0001857]	Pa×s	[329.56; 648.07]	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			-1.17384e+01
Coefficient B			2.03959e+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.			329.56
Temperature range, max.			648.07
η	0.0038892	Pa×s	329.56	Calculated Property
η	0.0021341	Pa×s	364.95	Calculated Property
η	0.0013022	Pa×s	400.34	Calculated Property
η	0.0008609	Pa×s	435.73	Calculated Property
η	0.0006057	Pa×s	471.12	Calculated Property
η	0.0004476	Pa×s	506.51	Calculated Property
η	0.0003441	Pa×s	541.90	Calculated Property
η	0.0002732	Pa×s	577.29	Calculated Property
η	0.0002228	Pa×s	612.68	Calculated Property
η	0.0001857	Pa×s	648.07	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclohexyl, 4-phenyl-.

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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