Chemical Properties of 2,4-Dichlorobenzoic acid, 4-tolyl ester (CAS 92153-11-2)

InChI

InChI=1S/C14H10Cl2O2/c1-9-2-5-11(6-3-9)18-14(17)12-7-4-10(15)8-13(12)16/h2-8H,1H3

InChI Key

FZQYSSYQXKFNJG-UHFFFAOYSA-N

Formula

C14H10Cl2O2

SMILES

Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1

Molecular Weight¹

281.13

CAS

92153-11-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[238.76; 520.08]	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			1.64400e+01
Coefficient B			9.56320e-01
Coefficient C			-5.45280e-04
Coefficient D			9.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.76	J/mol×K	273.00	Calculated Property
Cp,gas	290.62	J/mol×K	353.78	Calculated Property
Cp,gas	336.64	J/mol×K	434.56	Calculated Property
Cp,gas	377.13	J/mol×K	515.33	Calculated Property
Cp,gas	412.36	J/mol×K	596.11	Calculated Property
Cp,gas	442.65	J/mol×K	676.89	Calculated Property
Cp,gas	468.26	J/mol×K	757.67	Calculated Property
Cp,gas	489.52	J/mol×K	838.44	Calculated Property
Cp,gas	506.69	J/mol×K	919.22	Calculated Property
Cp,gas	520.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008562; 0.0001391]	Pa×s	[440.11; 678.93]	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			-1.22302e+01
Coefficient B			2.27410e+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.			440.11
Temperature range, max.			678.93
η	0.0008562	Pa×s	440.11	Calculated Property
η	0.0006382	Pa×s	466.65	Calculated Property
η	0.0004910	Pa×s	493.18	Calculated Property
η	0.0003880	Pa×s	519.72	Calculated Property
η	0.0003137	Pa×s	546.25	Calculated Property
η	0.0002587	Pa×s	572.79	Calculated Property
η	0.0002170	Pa×s	599.32	Calculated Property
η	0.0001847	Pa×s	625.86	Calculated Property
η	0.0001594	Pa×s	652.39	Calculated Property
η	0.0001391	Pa×s	678.93	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dichlorobenzoic acid, 4-tolyl 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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