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

InChI

InChI=1S/C14H9Cl3O3/c1-19-9-4-2-8(3-5-9)14(18)20-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3

InChI Key

IGWHCSIAKZETGT-UHFFFAOYSA-N

Formula

C14H9Cl3O3

SMILES

COc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1

Molecular Weight¹

331.58

• 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	[270.12; 543.81]	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			6.91300e+01
Coefficient B			8.40420e-01
Coefficient C			-3.87640e-04
Coefficient D			2.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.12	J/mol×K	273.00	Calculated Property
Cp,gas	318.91	J/mol×K	353.78	Calculated Property
Cp,gas	362.93	J/mol×K	434.56	Calculated Property
Cp,gas	402.28	J/mol×K	515.33	Calculated Property
Cp,gas	437.01	J/mol×K	596.11	Calculated Property
Cp,gas	467.18	J/mol×K	676.89	Calculated Property
Cp,gas	492.89	J/mol×K	757.67	Calculated Property
Cp,gas	514.18	J/mol×K	838.44	Calculated Property
Cp,gas	531.13	J/mol×K	919.22	Calculated Property
Cp,gas	543.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004684; 0.0001038]	Pa×s	[504.78; 723.46]	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			-1.26511e+01
Coefficient B			2.51625e+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.			504.78
Temperature range, max.			723.46
η	0.0004684	Pa×s	504.78	Calculated Property
η	0.0003725	Pa×s	529.08	Calculated Property
η	0.0003023	Pa×s	553.38	Calculated Property
η	0.0002497	Pa×s	577.67	Calculated Property
η	0.0002094	Pa×s	601.97	Calculated Property
η	0.0001781	Pa×s	626.27	Calculated Property
η	0.0001533	Pa×s	650.57	Calculated Property
η	0.0001333	Pa×s	674.86	Calculated Property
η	0.0001171	Pa×s	699.16	Calculated Property
η	0.0001038	Pa×s	723.46	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxybenzoic 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

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