Chemical Properties of 3-Chlorobenzoic acid, 4-isopropylphenyl ester

InChI

InChI=1S/C16H15ClO2/c1-11(2)12-6-8-15(9-7-12)19-16(18)13-4-3-5-14(17)10-13/h3-11H,1-2H3

InChI Key

MIEAXDYYVFWBLV-UHFFFAOYSA-N

Formula

C16H15ClO2

SMILES

CC(C)c1ccc(OC(=O)c2cccc(Cl)c2)cc1

Molecular Weight¹

274.74

• 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	[264.92; 618.57]	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			-1.42500e+01
Coefficient B			1.20494e+00
Coefficient C			-7.03920e-04
Coefficient D			1.31800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.92	J/mol×K	273.00	Calculated Property
Cp,gas	329.77	J/mol×K	353.78	Calculated Property
Cp,gas	387.25	J/mol×K	434.56	Calculated Property
Cp,gas	437.79	J/mol×K	515.33	Calculated Property
Cp,gas	481.81	J/mol×K	596.11	Calculated Property
Cp,gas	519.72	J/mol×K	676.89	Calculated Property
Cp,gas	551.93	J/mol×K	757.67	Calculated Property
Cp,gas	578.86	J/mol×K	838.44	Calculated Property
Cp,gas	600.94	J/mol×K	919.22	Calculated Property
Cp,gas	618.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012172; 0.0001163]	Pa×s	[405.21; 675.02]	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			-1.25851e+01
Coefficient B			2.38018e+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.			405.21
Temperature range, max.			675.02
η	0.0012172	Pa×s	405.21	Calculated Property
η	0.0008121	Pa×s	435.19	Calculated Property
η	0.0005709	Pa×s	465.17	Calculated Property
η	0.0004188	Pa×s	495.15	Calculated Property
η	0.0003183	Pa×s	525.12	Calculated Property
η	0.0002492	Pa×s	555.10	Calculated Property
η	0.0002000	Pa×s	585.08	Calculated Property
η	0.0001641	Pa×s	615.06	Calculated Property
η	0.0001370	Pa×s	645.04	Calculated Property
η	0.0001163	Pa×s	675.02	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorobenzoic acid, 4-isopropylphenyl 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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