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

InChI

InChI=1S/C13H7Cl3O2/c14-9-4-1-3-8(7-9)13(17)18-11-6-2-5-10(15)12(11)16/h1-7H

InChI Key

DQRNBBSBPPHFSG-UHFFFAOYSA-N

Formula

C13H7Cl3O2

SMILES

O=C(Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1

Molecular Weight¹

301.56

• 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	[230.95; 476.76]	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			3.02400e+01
Coefficient B			8.68100e-01
Coefficient C			-5.11280e-04
Coefficient D			8.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.95	J/mol×K	273.00	Calculated Property
Cp,gas	277.34	J/mol×K	353.78	Calculated Property
Cp,gas	318.29	J/mol×K	434.56	Calculated Property
Cp,gas	354.10	J/mol×K	515.33	Calculated Property
Cp,gas	385.04	J/mol×K	596.11	Calculated Property
Cp,gas	411.41	J/mol×K	676.89	Calculated Property
Cp,gas	433.48	J/mol×K	757.67	Calculated Property
Cp,gas	451.54	J/mol×K	838.44	Calculated Property
Cp,gas	465.87	J/mol×K	919.22	Calculated Property
Cp,gas	476.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008009; 0.0001406]	Pa×s	[458.76; 694.45]	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			-1.22550e+01
Coefficient B			2.35126e+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.			458.76
Temperature range, max.			694.45
η	0.0008009	Pa×s	458.76	Calculated Property
η	0.0006073	Pa×s	484.95	Calculated Property
η	0.0004737	Pa×s	511.14	Calculated Property
η	0.0003785	Pa×s	537.32	Calculated Property
η	0.0003089	Pa×s	563.51	Calculated Property
η	0.0002566	Pa×s	589.70	Calculated Property
η	0.0002166	Pa×s	615.89	Calculated Property
η	0.0001854	Pa×s	642.07	Calculated Property
η	0.0001606	Pa×s	668.26	Calculated Property
η	0.0001406	Pa×s	694.45	Calculated Property

Similar Compounds

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