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

InChI

InChI=1S/C10H8Cl4O2/c1-4(2)10(15)16-9-6(12)3-5(11)7(13)8(9)14/h3-4H,1-2H3

InChI Key

VBLZPANJGHZOMW-UHFFFAOYSA-N

Formula

C10H8Cl4O2

SMILES

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

Molecular Weight¹

301.98

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.77	kJ/mol	Joback Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	4.862		Crippen Calculated Property
McVol	184.400	ml/mol	McGowan Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		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 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	[240.21; 446.28]	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			9.23800e+01
Coefficient B			6.15240e-01
Coefficient C			-2.73440e-04
Coefficient D			1.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.21	J/mol×K	273.00	Calculated Property
Cp,gas	276.35	J/mol×K	353.78	Calculated Property
Cp,gas	309.09	J/mol×K	434.56	Calculated Property
Cp,gas	338.47	J/mol×K	515.33	Calculated Property
Cp,gas	364.53	J/mol×K	596.11	Calculated Property
Cp,gas	387.30	J/mol×K	676.89	Calculated Property
Cp,gas	406.82	J/mol×K	757.67	Calculated Property
Cp,gas	423.13	J/mol×K	838.44	Calculated Property
Cp,gas	436.27	J/mol×K	919.22	Calculated Property
Cp,gas	446.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009512; 0.0001688]	Pa×s	[425.97; 641.34]	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			-1.21066e+01
Coefficient B			2.19324e+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.			425.97
Temperature range, max.			641.34
η	0.0009512	Pa×s	425.97	Calculated Property
η	0.0007233	Pa×s	449.90	Calculated Property
η	0.0005655	Pa×s	473.83	Calculated Property
η	0.0004526	Pa×s	497.76	Calculated Property
η	0.0003698	Pa×s	521.69	Calculated Property
η	0.0003075	Pa×s	545.62	Calculated Property
η	0.0002598	Pa×s	569.55	Calculated Property
η	0.0002224	Pa×s	593.48	Calculated Property
η	0.0001927	Pa×s	617.41	Calculated Property
η	0.0001688	Pa×s	641.34	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyric 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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