Chemical Properties of Diethylmalonic acid, di(2,2,2-trichloroethyl) ester

InChI

InChI=1S/C11H14Cl6O4/c1-3-9(4-2,7(18)20-5-10(12,13)14)8(19)21-6-11(15,16)17/h3-6H2,1-2H3

InChI Key

OAAFLQBHJGZGIM-UHFFFAOYSA-N

Formula

C11H14Cl6O4

SMILES

CCC(CC)(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

422.95

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[347.56; 657.07]	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			4.76340e+01
Coefficient B			1.35744e+00
Coefficient C			-1.02320e-03
Coefficient D			2.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.56	J/mol×K	273.00	Calculated Property
Cp,gas	411.99	J/mol×K	353.78	Calculated Property
Cp,gas	466.88	J/mol×K	434.56	Calculated Property
Cp,gas	513.10	J/mol×K	515.33	Calculated Property
Cp,gas	551.52	J/mol×K	596.11	Calculated Property
Cp,gas	583.01	J/mol×K	676.89	Calculated Property
Cp,gas	608.44	J/mol×K	757.67	Calculated Property
Cp,gas	628.68	J/mol×K	838.44	Calculated Property
Cp,gas	644.60	J/mol×K	919.22	Calculated Property
Cp,gas	657.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006779; 0.0000562]	Pa×s	[485.17; 705.01]	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			-1.52838e+01
Coefficient B			3.87518e+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.			485.17
Temperature range, max.			705.01
η	0.0006779	Pa×s	485.17	Calculated Property
η	0.0004623	Pa×s	509.60	Calculated Property
η	0.0003265	Pa×s	534.02	Calculated Property
η	0.0002377	Pa×s	558.45	Calculated Property
η	0.0001777	Pa×s	582.88	Calculated Property
η	0.0001360	Pa×s	607.30	Calculated Property
η	0.0001063	Pa×s	631.73	Calculated Property
η	0.0000846	Pa×s	656.16	Calculated Property
η	0.0000684	Pa×s	680.59	Calculated Property
η	0.0000562	Pa×s	705.01	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,2,2-trichloroethyl) 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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