Chemical Properties of 3-Cyclopentylpropionic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C14H14Cl4O2/c15-9-7-10(16)14(13(18)12(9)17)20-11(19)6-5-8-3-1-2-4-8/h7-8H,1-6H2

InChI Key

UJTJVNOPSZRYPT-UHFFFAOYSA-N

Formula

C14H14Cl4O2

SMILES

O=C(CCC1CCCC1)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

356.07

• 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°	39.59	kJ/mol	Joback Calculated Property
logPoct/wat	6.176		Crippen Calculated Property
McVol	229.900	ml/mol	McGowan Calculated Property
Inp	[2422.00; 2422.00]
Inp	2422.00		NIST
Inp	2422.00		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	[292.15; 635.40]	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			2.99420e+01
Coefficient B			1.12100e+00
Coefficient C			-6.15240e-04
Coefficient D			9.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.15	J/mol×K	273.00	Calculated Property
Cp,gas	353.94	J/mol×K	353.78	Calculated Property
Cp,gas	409.08	J/mol×K	434.56	Calculated Property
Cp,gas	457.89	J/mol×K	515.33	Calculated Property
Cp,gas	500.68	J/mol×K	596.11	Calculated Property
Cp,gas	537.77	J/mol×K	676.89	Calculated Property
Cp,gas	569.47	J/mol×K	757.67	Calculated Property
Cp,gas	596.10	J/mol×K	838.44	Calculated Property
Cp,gas	617.97	J/mol×K	919.22	Calculated Property
Cp,gas	635.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008137; 0.0001770]	Pa×s	[496.95; 720.56]	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			-1.20299e+01
Coefficient B			2.44296e+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.			496.95
Temperature range, max.			720.56
η	0.0008137	Pa×s	496.95	Calculated Property
η	0.0006439	Pa×s	521.80	Calculated Property
η	0.0005205	Pa×s	546.64	Calculated Property
η	0.0004286	Pa×s	571.49	Calculated Property
η	0.0003586	Pa×s	596.33	Calculated Property
η	0.0003044	Pa×s	621.18	Calculated Property
η	0.0002617	Pa×s	646.02	Calculated Property
η	0.0002275	Pa×s	670.87	Calculated Property
η	0.0001998	Pa×s	695.71	Calculated Property
η	0.0001770	Pa×s	720.56	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 2,3,4,6-tetrachlorophenyl 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.
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