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

InChI

InChI=1S/C13H12Cl4O2/c14-8-6-9(15)12(11(17)10(8)16)19-13(18)7-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

RXIUUOITUXXFKV-UHFFFAOYSA-N

Formula

C13H12Cl4O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)C1CCCCC1

Molecular Weight¹

342.05

• 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

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	[266.04; 585.59]	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			2.57300e+01
Coefficient B			1.01640e+00
Coefficient C			-5.14440e-04
Coefficient D			5.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.04	J/mol×K	273.00	Calculated Property
Cp,gas	323.49	J/mol×K	353.78	Calculated Property
Cp,gas	375.02	J/mol×K	434.56	Calculated Property
Cp,gas	420.82	J/mol×K	515.33	Calculated Property
Cp,gas	461.08	J/mol×K	596.11	Calculated Property
Cp,gas	495.97	J/mol×K	676.89	Calculated Property
Cp,gas	525.69	J/mol×K	757.67	Calculated Property
Cp,gas	550.41	J/mol×K	838.44	Calculated Property
Cp,gas	570.31	J/mol×K	919.22	Calculated Property
Cp,gas	585.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007801; 0.0001376]	Pa×s	[482.16; 715.85]	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			-1.24700e+01
Coefficient B			2.56217e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			482.16
Temperature range, max.			715.85
η	0.0007801	Pa×s	482.16	Calculated Property
η	0.0005946	Pa×s	508.13	Calculated Property
η	0.0004653	Pa×s	534.09	Calculated Property
η	0.0003725	Pa×s	560.06	Calculated Property
η	0.0003042	Pa×s	586.02	Calculated Property
η	0.0002527	Pa×s	611.99	Calculated Property
η	0.0002131	Pa×s	637.95	Calculated Property
η	0.0001821	Pa×s	663.92	Calculated Property
η	0.0001575	Pa×s	689.88	Calculated Property
η	0.0001376	Pa×s	715.85	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic 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

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