Chemical Properties of 3,4-Dichlorobenzoic acid, 4-isopropyl phenyl ester

InChI

InChI=1S/C16H14Cl2O2/c1-10(2)11-3-6-13(7-4-11)20-16(19)12-5-8-14(17)15(18)9-12/h3-10H,1-2H3

InChI Key

KUYPPVGCZIGLAH-UHFFFAOYSA-N

Formula

C16H14Cl2O2

SMILES

CC(C)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1

Molecular Weight¹

309.19

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Ionization energy, 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	[280.87; 623.80]	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			1.29400e+01
Coefficient B			1.15224e+00
Coefficient C			-6.57280e-04
Coefficient D			1.15900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.87	J/mol×K	273.00	Calculated Property
Cp,gas	343.44	J/mol×K	353.78	Calculated Property
Cp,gas	399.04	J/mol×K	434.56	Calculated Property
Cp,gas	448.04	J/mol×K	515.33	Calculated Property
Cp,gas	490.79	J/mol×K	596.11	Calculated Property
Cp,gas	527.67	J/mol×K	676.89	Calculated Property
Cp,gas	559.05	J/mol×K	757.67	Calculated Property
Cp,gas	585.28	J/mol×K	838.44	Calculated Property
Cp,gas	606.74	J/mol×K	919.22	Calculated Property
Cp,gas	623.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008403; 0.0001084]	Pa×s	[447.65; 706.79]	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			-1.26670e+01
Coefficient B			2.50024e+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.			447.65
Temperature range, max.			706.79
η	0.0008403	Pa×s	447.65	Calculated Property
η	0.0005996	Pa×s	476.44	Calculated Property
η	0.0004446	Pa×s	505.24	Calculated Property
η	0.0003405	Pa×s	534.03	Calculated Property
η	0.0002679	Pa×s	562.82	Calculated Property
η	0.0002159	Pa×s	591.62	Calculated Property
η	0.0001774	Pa×s	620.41	Calculated Property
η	0.0001484	Pa×s	649.20	Calculated Property
η	0.0001260	Pa×s	678.00	Calculated Property
η	0.0001084	Pa×s	706.79	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dichlorobenzoic acid, 4-isopropyl phenyl 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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