Chemical Properties of 2-Chlorobenzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C13H8Cl2O2/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8H

InChI Key

FAWUTQLFEATJSE-UHFFFAOYSA-N

Formula

C13H8Cl2O2

SMILES

O=C(Oc1ccc(Cl)cc1)c1ccccc1Cl

Molecular Weight¹

267.11

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[215.00; 471.53]	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			3.05000e+00
Coefficient B			9.20800e-01
Coefficient C			-5.57920e-04
Coefficient D			1.05600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.00	J/mol×K	273.00	Calculated Property
Cp,gas	263.66	J/mol×K	353.78	Calculated Property
Cp,gas	306.50	J/mol×K	434.56	Calculated Property
Cp,gas	343.86	J/mol×K	515.33	Calculated Property
Cp,gas	376.06	J/mol×K	596.11	Calculated Property
Cp,gas	403.45	J/mol×K	676.89	Calculated Property
Cp,gas	426.36	J/mol×K	757.67	Calculated Property
Cp,gas	445.12	J/mol×K	838.44	Calculated Property
Cp,gas	460.07	J/mol×K	919.22	Calculated Property
Cp,gas	471.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010950; 0.0001492]	Pa×s	[416.32; 662.80]	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			-1.21763e+01
Coefficient B			2.23120e+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.			416.32
Temperature range, max.			662.80
η	0.0010950	Pa×s	416.32	Calculated Property
η	0.0007866	Pa×s	443.71	Calculated Property
η	0.0005872	Pa×s	471.09	Calculated Property
η	0.0004527	Pa×s	498.48	Calculated Property
η	0.0003586	Pa×s	525.87	Calculated Property
η	0.0002906	Pa×s	553.25	Calculated Property
η	0.0002403	Pa×s	580.64	Calculated Property
η	0.0002021	Pa×s	608.03	Calculated Property
η	0.0001725	Pa×s	635.41	Calculated Property
η	0.0001492	Pa×s	662.80	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 4-chlorophenyl 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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