Chemical Properties of 3-Chlorobenzoic acid, 2-biphenyl ester

InChI

InChI=1S/C19H13ClO2/c20-16-10-6-9-15(13-16)19(21)22-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H

InChI Key

PLCHZGCESRFODF-UHFFFAOYSA-N

Formula

C19H13ClO2

SMILES

O=C(Oc1ccccc1-c1ccccc1)c1cccc(Cl)c1

Molecular Weight¹

308.76

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[271.62; 654.28]	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			-4.92000e+01
Coefficient B			1.40510e+00
Coefficient C			-8.95120e-04
Coefficient D			1.93500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.62	J/mol×K	273.00	Calculated Property
Cp,gas	344.43	J/mol×K	353.78	Calculated Property
Cp,gas	408.24	J/mol×K	434.56	Calculated Property
Cp,gas	463.66	J/mol×K	515.33	Calculated Property
Cp,gas	511.30	J/mol×K	596.11	Calculated Property
Cp,gas	551.78	J/mol×K	676.89	Calculated Property
Cp,gas	585.71	J/mol×K	757.67	Calculated Property
Cp,gas	613.69	J/mol×K	838.44	Calculated Property
Cp,gas	636.34	J/mol×K	919.22	Calculated Property
Cp,gas	654.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006875; 0.0000903]	Pa×s	[480.44; 758.84]	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			-1.28154e+01
Coefficient B			2.65826e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			480.44
Temperature range, max.			758.84
η	0.0006875	Pa×s	480.44	Calculated Property
η	0.0004919	Pa×s	511.37	Calculated Property
η	0.0003657	Pa×s	542.31	Calculated Property
η	0.0002807	Pa×s	573.24	Calculated Property
η	0.0002214	Pa×s	604.17	Calculated Property
η	0.0001787	Pa×s	635.11	Calculated Property
η	0.0001471	Pa×s	666.04	Calculated Property
η	0.0001232	Pa×s	696.97	Calculated Property
η	0.0001048	Pa×s	727.91	Calculated Property
η	0.0000903	Pa×s	758.84	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorobenzoic acid, 2-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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