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

InChI

InChI=1S/C14H16Cl2O2/c15-12-7-6-11(9-13(12)16)18-14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2

InChI Key

JPOVKVUFJRAFMA-UHFFFAOYSA-N

Formula

C14H16Cl2O2

SMILES

O=C(CCC1CCCC1)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

287.18

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	31.98	kJ/mol	Joback Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	205.420	ml/mol	McGowan Calculated Property
Inp	[2072.00; 2072.00]
Inp	2072.00		NIST
Inp	2072.00		NIST

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, Ionization energy, 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	[260.24; 624.94]	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			-2.44380e+01
Coefficient B			1.22640e+00
Coefficient C			-7.08520e-04
Coefficient D			1.31500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.24	J/mol×K	273.00	Calculated Property
Cp,gas	326.58	J/mol×K	353.78	Calculated Property
Cp,gas	385.50	J/mol×K	434.56	Calculated Property
Cp,gas	437.40	J/mol×K	515.33	Calculated Property
Cp,gas	482.72	J/mol×K	596.11	Calculated Property
Cp,gas	521.85	J/mol×K	676.89	Calculated Property
Cp,gas	555.23	J/mol×K	757.67	Calculated Property
Cp,gas	583.26	J/mol×K	838.44	Calculated Property
Cp,gas	606.36	J/mol×K	919.22	Calculated Property
Cp,gas	624.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015048; 0.0002053]	Pa×s	[412.07; 656.77]	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			-1.18449e+01
Coefficient B			2.20284e+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.			412.07
Temperature range, max.			656.77
η	0.0015048	Pa×s	412.07	Calculated Property
η	0.0010809	Pa×s	439.26	Calculated Property
η	0.0008069	Pa×s	466.45	Calculated Property
η	0.0006221	Pa×s	493.64	Calculated Property
η	0.0004928	Pa×s	520.82	Calculated Property
η	0.0003995	Pa×s	548.01	Calculated Property
η	0.0003304	Pa×s	575.20	Calculated Property
η	0.0002780	Pa×s	602.39	Calculated Property
η	0.0002374	Pa×s	629.58	Calculated Property
η	0.0002053	Pa×s	656.77	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.