Chemical Properties of 4-Chlorobutyric acid, 4-isopropylphenyl ester

InChI

InChI=1S/C13H17ClO2/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3

InChI Key

VZSJRZQELOWJTH-UHFFFAOYSA-N

Formula

C13H17ClO2

SMILES

CC(C)c1ccc(OC(=O)CCCCl)cc1

Molecular Weight¹

240.73

• 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).
• 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, 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	[255.98; 585.36]	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			8.08300e+00
Coefficient B			1.05834e+00
Coefficient C			-5.76560e-04
Coefficient D			9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.98	J/mol×K	273.00	Calculated Property
Cp,gas	314.57	J/mol×K	353.78	Calculated Property
Cp,gas	366.95	J/mol×K	434.56	Calculated Property
Cp,gas	413.43	J/mol×K	515.33	Calculated Property
Cp,gas	454.32	J/mol×K	596.11	Calculated Property
Cp,gas	489.91	J/mol×K	676.89	Calculated Property
Cp,gas	520.51	J/mol×K	757.67	Calculated Property
Cp,gas	546.42	J/mol×K	838.44	Calculated Property
Cp,gas	567.93	J/mol×K	919.22	Calculated Property
Cp,gas	585.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025618; 0.0001659]	Pa×s	[332.46; 583.42]	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			-1.23303e+01
Coefficient B			2.11554e+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.			332.46
Temperature range, max.			583.42
η	0.0025618	Pa×s	332.46	Calculated Property
η	0.0015657	Pa×s	360.34	Calculated Property
η	0.0010270	Pa×s	388.23	Calculated Property
η	0.0007128	Pa×s	416.11	Calculated Property
η	0.0005180	Pa×s	444.00	Calculated Property
η	0.0003909	Pa×s	471.88	Calculated Property
η	0.0003044	Pa×s	499.77	Calculated Property
η	0.0002434	Pa×s	527.65	Calculated Property
η	0.0001990	Pa×s	555.54	Calculated Property
η	0.0001659	Pa×s	583.42	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyric 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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