Chemical Properties of 2,2-Dichloropropionic acid, pentachlorophenyl ester

InChI

InChI=1S/C9H3Cl7O2/c1-9(15,16)8(17)18-7-5(13)3(11)2(10)4(12)6(7)14/h1H3

InChI Key

VAOPRNWCLHADEN-UHFFFAOYSA-N

Formula

C9H3Cl7O2

SMILES

CC(Cl)(Cl)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

391.29

• 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).
• 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	[260.61; 417.39]	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			1.23470e+02
Coefficient B			6.01020e-01
Coefficient C			-3.81800e-04
Coefficient D			7.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.61	J/mol×K	273.00	Calculated Property
Cp,gas	291.62	J/mol×K	353.78	Calculated Property
Cp,gas	318.68	J/mol×K	434.56	Calculated Property
Cp,gas	342.02	J/mol×K	515.33	Calculated Property
Cp,gas	361.90	J/mol×K	596.11	Calculated Property
Cp,gas	378.53	J/mol×K	676.89	Calculated Property
Cp,gas	392.16	J/mol×K	757.67	Calculated Property
Cp,gas	403.02	J/mol×K	838.44	Calculated Property
Cp,gas	411.35	J/mol×K	919.22	Calculated Property
Cp,gas	417.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004697; 0.0001235]	Pa×s	[534.40; 720.44]	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			-1.28365e+01
Coefficient B			2.76450e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			534.40
Temperature range, max.			720.44
η	0.0004697	Pa×s	534.40	Calculated Property
η	0.0003874	Pa×s	555.07	Calculated Property
η	0.0003240	Pa×s	575.74	Calculated Property
η	0.0002743	Pa×s	596.41	Calculated Property
η	0.0002348	Pa×s	617.08	Calculated Property
η	0.0002031	Pa×s	637.76	Calculated Property
η	0.0001773	Pa×s	658.43	Calculated Property
η	0.0001560	Pa×s	679.10	Calculated Property
η	0.0001383	Pa×s	699.77	Calculated Property
η	0.0001235	Pa×s	720.44	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dichloropropionic acid, pentachlorophenyl 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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