Chemical Properties of Dimethylmalonic acid, monochloride, 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C11H8Cl4O3/c1-11(2,9(15)16)10(17)18-7-4-5(12)3-6(13)8(7)14/h3-4H,1-2H3

InChI Key

GEICBZKFGWZMCW-UHFFFAOYSA-N

Formula

C11H8Cl4O3

SMILES

CC(C)(C(=O)Cl)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

329.99

• 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°	32.46	kJ/mol	Joback Calculated Property
logPoct/wat	4.344		Crippen Calculated Property
McVol	200.060	ml/mol	McGowan Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		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	[258.65; 490.86]	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			6.17400e+01
Coefficient B			8.61640e-01
Coefficient C			-5.44780e-04
Coefficient D			1.12260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.65	J/mol×K	273.00	Calculated Property
Cp,gas	303.36	J/mol×K	353.78	Calculated Property
Cp,gas	342.51	J/mol×K	434.56	Calculated Property
Cp,gas	376.46	J/mol×K	515.33	Calculated Property
Cp,gas	405.57	J/mol×K	596.11	Calculated Property
Cp,gas	430.18	J/mol×K	676.89	Calculated Property
Cp,gas	450.67	J/mol×K	757.67	Calculated Property
Cp,gas	467.37	J/mol×K	838.44	Calculated Property
Cp,gas	480.65	J/mol×K	919.22	Calculated Property
Cp,gas	490.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007489; 0.0001428]	Pa×s	[492.07; 695.50]	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			-1.28619e+01
Coefficient B			2.78757e+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.			492.07
Temperature range, max.			695.50
η	0.0007489	Pa×s	492.07	Calculated Property
η	0.0005839	Pa×s	514.67	Calculated Property
η	0.0004649	Pa×s	537.28	Calculated Property
η	0.0003771	Pa×s	559.88	Calculated Property
η	0.0003108	Pa×s	582.48	Calculated Property
η	0.0002599	Pa×s	605.09	Calculated Property
η	0.0002202	Pa×s	627.69	Calculated Property
η	0.0001887	Pa×s	650.30	Calculated Property
η	0.0001634	Pa×s	672.90	Calculated Property
η	0.0001428	Pa×s	695.50	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 2,3,5-trichlorophenyl 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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