Chemical Properties of Cyclopentanecarboxylic acid, 4-chlorophenyl ester

InChI

InChI=1S/C12H13ClO2/c13-10-5-7-11(8-6-10)15-12(14)9-3-1-2-4-9/h5-9H,1-4H2

InChI Key

ZMLQNIGUNYBKJO-UHFFFAOYSA-N

Formula

C12H13ClO2

SMILES

O=C(Oc1ccc(Cl)cc1)C1CCCC1

Molecular Weight¹

224.68

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[201.86; 516.53]	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			-4.98100e+01
Coefficient B			1.08910e+00
Coefficient C			-6.46360e-04
Coefficient D			1.23600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.86	J/mol×K	273.00	Calculated Property
Cp,gas	260.06	J/mol×K	353.78	Calculated Property
Cp,gas	311.55	J/mol×K	434.56	Calculated Property
Cp,gas	356.70	J/mol×K	515.33	Calculated Property
Cp,gas	395.91	J/mol×K	596.11	Calculated Property
Cp,gas	429.57	J/mol×K	676.89	Calculated Property
Cp,gas	458.08	J/mol×K	757.67	Calculated Property
Cp,gas	481.81	J/mol×K	838.44	Calculated Property
Cp,gas	501.16	J/mol×K	919.22	Calculated Property
Cp,gas	516.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023955; 0.0002410]	Pa×s	[347.09; 599.19]	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			-1.14923e+01
Coefficient B			1.89446e+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.			347.09
Temperature range, max.			599.19
η	0.0023955	Pa×s	347.09	Calculated Property
η	0.0015936	Pa×s	375.10	Calculated Property
η	0.0011219	Pa×s	403.11	Calculated Property
η	0.0008267	Pa×s	431.12	Calculated Property
η	0.0006323	Pa×s	459.13	Calculated Property
η	0.0004988	Pa×s	487.14	Calculated Property
η	0.0004037	Pa×s	515.15	Calculated Property
η	0.0003340	Pa×s	543.16	Calculated Property
η	0.0002815	Pa×s	571.17	Calculated Property
η	0.0002410	Pa×s	599.19	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 4-chlorophenyl 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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