Chemical Properties of 2-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C13H6Cl4O2/c14-8-4-2-1-3-7(8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H

InChI Key

WJBRLTCUKHJWLX-UHFFFAOYSA-N

Formula

C13H6Cl4O2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl

Molecular Weight¹

336.00

• 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	[246.91; 481.99]	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			5.74300e+01
Coefficient B			8.15400e-01
Coefficient C			-4.64640e-04
Coefficient D			7.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.91	J/mol×K	273.00	Calculated Property
Cp,gas	291.01	J/mol×K	353.78	Calculated Property
Cp,gas	330.08	J/mol×K	434.56	Calculated Property
Cp,gas	364.34	J/mol×K	515.33	Calculated Property
Cp,gas	394.02	J/mol×K	596.11	Calculated Property
Cp,gas	419.37	J/mol×K	676.89	Calculated Property
Cp,gas	440.60	J/mol×K	757.67	Calculated Property
Cp,gas	457.96	J/mol×K	838.44	Calculated Property
Cp,gas	471.68	J/mol×K	919.22	Calculated Property
Cp,gas	481.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006015; 0.0001308]	Pa×s	[501.20; 725.84]	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			-1.23469e+01
Coefficient B			2.47132e+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.			501.20
Temperature range, max.			725.84
η	0.0006015	Pa×s	501.20	Calculated Property
η	0.0004760	Pa×s	526.16	Calculated Property
η	0.0003848	Pa×s	551.12	Calculated Property
η	0.0003169	Pa×s	576.08	Calculated Property
η	0.0002652	Pa×s	601.04	Calculated Property
η	0.0002251	Pa×s	626.00	Calculated Property
η	0.0001935	Pa×s	650.96	Calculated Property
η	0.0001681	Pa×s	675.92	Calculated Property
η	0.0001476	Pa×s	700.88	Calculated Property
η	0.0001308	Pa×s	725.84	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 2,4,5-trichlorophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.