Chemical Properties of 4-Chlorobutyric acid, 4-biphenyl ester

InChI

InChI=1S/C16H15ClO2/c17-12-4-7-16(18)19-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2

InChI Key

CTIRJFONWYTVGL-UHFFFAOYSA-N

Formula

C16H15ClO2

SMILES

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

Molecular Weight¹

274.74

• 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).
• 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, Enthalpy of formation at standard conditions, 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	[262.68; 621.07]	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			-2.68670e+01
Coefficient B			1.25850e+00
Coefficient C			-7.67760e-04
Coefficient D			1.57200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.68	J/mol×K	273.00	Calculated Property
Cp,gas	329.23	J/mol×K	353.78	Calculated Property
Cp,gas	387.94	J/mol×K	434.56	Calculated Property
Cp,gas	439.30	J/mol×K	515.33	Calculated Property
Cp,gas	483.82	J/mol×K	596.11	Calculated Property
Cp,gas	521.98	J/mol×K	676.89	Calculated Property
Cp,gas	554.29	J/mol×K	757.67	Calculated Property
Cp,gas	581.24	J/mol×K	838.44	Calculated Property
Cp,gas	603.34	J/mol×K	919.22	Calculated Property
Cp,gas	621.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012634; 0.0001281]	Pa×s	[407.69; 668.08]	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			-1.25451e+01
Coefficient B			2.39362e+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.			407.69
Temperature range, max.			668.08
η	0.0012634	Pa×s	407.69	Calculated Property
η	0.0008562	Pa×s	436.62	Calculated Property
η	0.0006090	Pa×s	465.55	Calculated Property
η	0.0004508	Pa×s	494.49	Calculated Property
η	0.0003450	Pa×s	523.42	Calculated Property
η	0.0002715	Pa×s	552.35	Calculated Property
η	0.0002188	Pa×s	581.28	Calculated Property
η	0.0001800	Pa×s	610.21	Calculated Property
η	0.0001507	Pa×s	639.15	Calculated Property
η	0.0001281	Pa×s	668.08	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyric 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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