Chemical Properties of Cyclohexanecarboxylic acid, 4-biphenyl ester

InChI

InChI=1S/C19H20O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2

InChI Key

FNFLCKGXSVZHKK-UHFFFAOYSA-N

Formula

C19H20O2

SMILES

O=C(Oc1ccc(-c2ccccc2)cc1)C1CCCCC1

Molecular Weight¹

280.36

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	28.86	kJ/mol	Joback Calculated Property
logPoct/wat	4.839		Crippen Calculated Property
McVol	227.630	ml/mol	McGowan Calculated Property
Inp	[2526.00; 2526.00]
Inp	2526.00		NIST
Inp	2526.00		NIST
Tboil	671.54	K	Relay (1.0) Calculated Property
Tfus	384.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[274.80; 752.65]	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			-1.08090e+02
Coefficient B			1.65880e+00
Coefficient C			-9.91560e-04
Coefficient D			1.93500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.80	J/mol×K	273.00	Calculated Property
Cp,gas	363.22	J/mol×K	353.78	Calculated Property
Cp,gas	441.38	J/mol×K	434.56	Calculated Property
Cp,gas	509.90	J/mol×K	515.33	Calculated Property
Cp,gas	569.38	J/mol×K	596.11	Calculated Property
Cp,gas	620.43	J/mol×K	676.89	Calculated Property
Cp,gas	663.68	J/mol×K	757.67	Calculated Property
Cp,gas	699.72	J/mol×K	838.44	Calculated Property
Cp,gas	729.17	J/mol×K	919.22	Calculated Property
Cp,gas	752.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013910; 0.0001021]	Pa×s	[418.96; 717.61]	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			-1.28529e+01
Coefficient B			2.62905e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			418.96
Temperature range, max.			717.61
η	0.0013910	Pa×s	418.96	Calculated Property
η	0.0008777	Pa×s	452.14	Calculated Property
η	0.0005897	Pa×s	485.33	Calculated Property
η	0.0004170	Pa×s	518.51	Calculated Property
η	0.0003074	Pa×s	551.69	Calculated Property
η	0.0002346	Pa×s	584.88	Calculated Property
η	0.0001843	Pa×s	618.06	Calculated Property
η	0.0001484	Pa×s	651.24	Calculated Property
η	0.0001220	Pa×s	684.42	Calculated Property
η	0.0001021	Pa×s	717.61	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-biphenyl ester.

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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