Chemical Properties of Isobutyric acid, alpha-chloro-2,4-dichloro phenyl ester

InChI

InChI=1S/C10H9Cl3O2/c1-10(2,13)9(14)15-6-3-4-7(11)8(12)5-6/h3-5H,1-2H3

InChI Key

COOMWMJTGCTXAY-UHFFFAOYSA-N

Formula

C10H9Cl3O2

SMILES

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

Molecular Weight¹

267.54

• 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).
• 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 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	[220.56; 445.02]	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			2.81000e+01
Coefficient B			8.47340e-01
Coefficient C			-5.55720e-04
Coefficient D			1.25300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.56	J/mol×K	273.00	Calculated Property
Cp,gas	263.86	J/mol×K	353.78	Calculated Property
Cp,gas	301.66	J/mol×K	434.56	Calculated Property
Cp,gas	334.33	J/mol×K	515.33	Calculated Property
Cp,gas	362.28	J/mol×K	596.11	Calculated Property
Cp,gas	385.90	J/mol×K	676.89	Calculated Property
Cp,gas	405.58	J/mol×K	757.67	Calculated Property
Cp,gas	421.74	J/mol×K	838.44	Calculated Property
Cp,gas	434.75	J/mol×K	919.22	Calculated Property
Cp,gas	445.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014582; 0.0001662]	Pa×s	[388.43; 609.25]	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			-1.25217e+01
Coefficient B			2.32716e+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.			388.43
Temperature range, max.			609.25
η	0.0014582	Pa×s	388.43	Calculated Property
η	0.0010215	Pa×s	412.97	Calculated Property
η	0.0007447	Pa×s	437.50	Calculated Property
η	0.0005614	Pa×s	462.04	Calculated Property
η	0.0004355	Pa×s	486.57	Calculated Property
η	0.0003462	Pa×s	511.11	Calculated Property
η	0.0002810	Pa×s	535.64	Calculated Property
η	0.0002323	Pa×s	560.18	Calculated Property
η	0.0001951	Pa×s	584.71	Calculated Property
η	0.0001662	Pa×s	609.25	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyric acid, alpha-chloro-2,4-dichloro phenyl 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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