Chemical Properties of Benzoic acid, 2,4-dichloro-, methyl ester

InChI

InChI=1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3

InChI Key

VCRWILYAWSRHBN-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

COC(=O)c1ccc(Cl)cc1Cl

Molecular Weight¹

205.04

Other Names

• Methyl 2,4-dichlorobenzoate
• Methyl ester of 2,4-Dichlorobenzoic acid

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[166.18; 332.10]	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			4.15000e+01
Coefficient B			5.24720e-01
Coefficient C			-2.54720e-04
Coefficient D			2.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.18	J/mol×K	273.00	Calculated Property
Cp,gas	196.17	J/mol×K	353.78	Calculated Property
Cp,gas	223.11	J/mol×K	434.56	Calculated Property
Cp,gas	247.08	J/mol×K	515.33	Calculated Property
Cp,gas	268.14	J/mol×K	596.11	Calculated Property
Cp,gas	286.36	J/mol×K	676.89	Calculated Property
Cp,gas	301.80	J/mol×K	757.67	Calculated Property
Cp,gas	314.53	J/mol×K	838.44	Calculated Property
Cp,gas	324.60	J/mol×K	919.22	Calculated Property
Cp,gas	332.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016880; 0.0002237]	Pa×s	[333.55; 547.11]	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			-1.15618e+01
Coefficient B			1.72698e+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.			333.55
Temperature range, max.			547.11
η	0.0016880	Pa×s	333.55	Calculated Property
η	0.0011968	Pa×s	357.28	Calculated Property
η	0.0008857	Pa×s	381.01	Calculated Property
η	0.0006790	Pa×s	404.74	Calculated Property
η	0.0005361	Pa×s	428.47	Calculated Property
η	0.0004339	Pa×s	452.20	Calculated Property
η	0.0003587	Pa×s	475.92	Calculated Property
η	0.0003019	Pa×s	499.65	Calculated Property
η	0.0002581	Pa×s	523.38	Calculated Property
η	0.0002237	Pa×s	547.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,4-dichloro-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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