Chemical Properties of Dimethylmalonic acid, ethyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C13H13Cl3O4/c1-4-19-11(17)13(2,3)12(18)20-10-8(15)5-7(14)6-9(10)16/h5-6H,4H2,1-3H3

InChI Key

VMYHHAPFJCPJOM-UHFFFAOYSA-N

Formula

C13H13Cl3O4

SMILES

CCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

339.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[303.09; 604.86]	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			6.50810e+01
Coefficient B			1.01806e+00
Coefficient C			-5.57280e-04
Coefficient D			7.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.09	J/mol×K	273.00	Calculated Property
Cp,gas	359.00	J/mol×K	353.78	Calculated Property
Cp,gas	408.73	J/mol×K	434.56	Calculated Property
Cp,gas	452.54	J/mol×K	515.33	Calculated Property
Cp,gas	490.66	J/mol×K	596.11	Calculated Property
Cp,gas	523.36	J/mol×K	676.89	Calculated Property
Cp,gas	550.88	J/mol×K	757.67	Calculated Property
Cp,gas	573.47	J/mol×K	838.44	Calculated Property
Cp,gas	591.38	J/mol×K	919.22	Calculated Property
Cp,gas	604.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006274; 0.0000912]	Pa×s	[477.09; 693.51]	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			-1.35532e+01
Coefficient B			2.94810e+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.			477.09
Temperature range, max.			693.51
η	0.0006274	Pa×s	477.09	Calculated Property
η	0.0004664	Pa×s	501.14	Calculated Property
η	0.0003563	Pa×s	525.18	Calculated Property
η	0.0002787	Pa×s	549.23	Calculated Property
η	0.0002225	Pa×s	573.28	Calculated Property
η	0.0001809	Pa×s	597.32	Calculated Property
η	0.0001494	Pa×s	621.37	Calculated Property
η	0.0001252	Pa×s	645.42	Calculated Property
η	0.0001063	Pa×s	669.46	Calculated Property
η	0.0000912	Pa×s	693.51	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 2,4,6-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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