Chemical Properties of Cyclopentanecarboxylic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C12H12Cl2O2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2

InChI Key

CIKRVIKIBNQLQZ-UHFFFAOYSA-N

Formula

C12H12Cl2O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)C1CCCC1

Molecular Weight¹

259.13

• 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).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[217.81; 521.76]	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			-2.26200e+01
Coefficient B			1.03640e+00
Coefficient C			-5.99720e-04
Coefficient D			1.07700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.81	J/mol×K	273.00	Calculated Property
Cp,gas	273.74	J/mol×K	353.78	Calculated Property
Cp,gas	323.34	J/mol×K	434.56	Calculated Property
Cp,gas	366.94	J/mol×K	515.33	Calculated Property
Cp,gas	404.89	J/mol×K	596.11	Calculated Property
Cp,gas	437.53	J/mol×K	676.89	Calculated Property
Cp,gas	465.19	J/mol×K	757.67	Calculated Property
Cp,gas	488.23	J/mol×K	838.44	Calculated Property
Cp,gas	506.97	J/mol×K	919.22	Calculated Property
Cp,gas	521.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016985; 0.0002340]	Pa×s	[389.53; 631.60]	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			-1.15497e+01
Coefficient B			2.01452e+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.			389.53
Temperature range, max.			631.60
η	0.0016985	Pa×s	389.53	Calculated Property
η	0.0012162	Pa×s	416.43	Calculated Property
η	0.0009069	Pa×s	443.32	Calculated Property
η	0.0006993	Pa×s	470.22	Calculated Property
η	0.0005546	Pa×s	497.12	Calculated Property
η	0.0004505	Pa×s	524.01	Calculated Property
η	0.0003734	Pa×s	550.91	Calculated Property
η	0.0003149	Pa×s	577.81	Calculated Property
η	0.0002697	Pa×s	604.70	Calculated Property
η	0.0002340	Pa×s	631.60	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 3,4-dichlorophenyl 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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