Chemical Properties of Cyclobutanecarboxylic acid, 4-biphenyl ester

InChI

InChI=1S/C17H16O2/c18-17(15-7-4-8-15)19-16-11-9-14(10-12-16)13-5-2-1-3-6-13/h1-3,5-6,9-12,15H,4,7-8H2

InChI Key

ZQNORTRYBZAUBN-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

O=C(Oc1ccc(-c2ccccc2)cc1)C1CCC1

Molecular Weight¹

252.31

• 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

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	[242.16; 645.91]	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			-9.60300e+01
Coefficient B			1.48800e+00
Coefficient C			-9.75560e-04
Coefficient D			2.29500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.16	J/mol×K	273.00	Calculated Property
Cp,gas	318.45	J/mol×K	353.78	Calculated Property
Cp,gas	385.20	J/mol×K	434.56	Calculated Property
Cp,gas	443.12	J/mol×K	515.33	Calculated Property
Cp,gas	492.93	J/mol×K	596.11	Calculated Property
Cp,gas	535.38	J/mol×K	676.89	Calculated Property
Cp,gas	571.17	J/mol×K	757.67	Calculated Property
Cp,gas	601.04	J/mol×K	838.44	Calculated Property
Cp,gas	625.71	J/mol×K	919.22	Calculated Property
Cp,gas	645.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017112; 0.0002281]	Pa×s	[403.46; 676.59]	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			-1.13623e+01
Coefficient B			2.01399e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.46
Temperature range, max.			676.59
η	0.0017112	Pa×s	403.46	Calculated Property
η	0.0012068	Pa×s	433.81	Calculated Property
η	0.0008909	Pa×s	464.16	Calculated Property
η	0.0006826	Pa×s	494.50	Calculated Property
η	0.0005394	Pa×s	524.85	Calculated Property
η	0.0004373	Pa×s	555.20	Calculated Property
η	0.0003624	Pa×s	585.55	Calculated Property
η	0.0003059	Pa×s	615.90	Calculated Property
η	0.0002623	Pa×s	646.24	Calculated Property
η	0.0002281	Pa×s	676.59	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic 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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