Chemical Properties of Phenylacetic acid, 4-chloro-, propyl ester

InChI

InChI=1S/C11H13ClO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3

InChI Key

OKKOZFNOMZSZBQ-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

CCCOC(=O)Cc1ccc(Cl)cc1

Molecular Weight¹

212.68

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[213.87; 481.64]	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			1.15830e+01
Coefficient B			8.62420e-01
Coefficient C			-4.64560e-04
Coefficient D			7.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.87	J/mol×K	273.00	Calculated Property
Cp,gas	261.74	J/mol×K	353.78	Calculated Property
Cp,gas	304.55	J/mol×K	434.56	Calculated Property
Cp,gas	342.53	J/mol×K	515.33	Calculated Property
Cp,gas	375.89	J/mol×K	596.11	Calculated Property
Cp,gas	404.89	J/mol×K	676.89	Calculated Property
Cp,gas	429.73	J/mol×K	757.67	Calculated Property
Cp,gas	450.65	J/mol×K	838.44	Calculated Property
Cp,gas	467.88	J/mol×K	919.22	Calculated Property
Cp,gas	481.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022266; 0.0002017]	Pa×s	[324.92; 553.51]	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			-1.19222e+01
Coefficient B			1.88940e+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.			324.92
Temperature range, max.			553.51
η	0.0022266	Pa×s	324.92	Calculated Property
η	0.0014607	Pa×s	350.32	Calculated Property
η	0.0010144	Pa×s	375.72	Calculated Property
η	0.0007378	Pa×s	401.12	Calculated Property
η	0.0005573	Pa×s	426.52	Calculated Property
η	0.0004345	Pa×s	451.91	Calculated Property
η	0.0003478	Pa×s	477.31	Calculated Property
η	0.0002848	Pa×s	502.71	Calculated Property
η	0.0002377	Pa×s	528.11	Calculated Property
η	0.0002017	Pa×s	553.51	Calculated Property

Similar Compounds

Find more compounds similar to Phenylacetic acid, 4-chloro-, propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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