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

InChI

InChI=1S/C11H16Cl4O4/c1-3-11(4-2,9(16)18-5-7(12)13)10(17)19-6-8(14)15/h7-8H,3-6H2,1-2H3

InChI Key

AGLZFPQMUMSPAI-UHFFFAOYSA-N

Formula

C11H16Cl4O4

SMILES

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

Molecular Weight¹

354.06

• 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

Property	Value	Unit	Source
ΔfH°gas	-954.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
ΔvapH°	86.00	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.487		Crippen Calculated Property
McVol	229.690	ml/mol	McGowan Calculated Property
Inp	[1874.00; 1874.00]
Inp	1874.00		NIST
Inp	1874.00		NIST
Tboil	574.39	K	Relay (1.0) Calculated Property

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	[323.04; 638.67]	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			6.74340e+01
Coefficient B			1.10404e+00
Coefficient C			-6.45200e-04
Coefficient D			1.12400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.04	J/mol×K	273.00	Calculated Property
Cp,gas	382.24	J/mol×K	353.78	Calculated Property
Cp,gas	434.59	J/mol×K	434.56	Calculated Property
Cp,gas	480.42	J/mol×K	515.33	Calculated Property
Cp,gas	520.10	J/mol×K	596.11	Calculated Property
Cp,gas	553.99	J/mol×K	676.89	Calculated Property
Cp,gas	582.43	J/mol×K	757.67	Calculated Property
Cp,gas	605.79	J/mol×K	838.44	Calculated Property
Cp,gas	624.42	J/mol×K	919.22	Calculated Property
Cp,gas	638.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023218; 0.0000999]	Pa×s	[390.49; 643.13]	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			-1.40735e+01
Coefficient B			3.12710e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			390.49
Temperature range, max.			643.13
η	0.0023218	Pa×s	390.49	Calculated Property
η	0.0013570	Pa×s	418.56	Calculated Property
η	0.0008485	Pa×s	446.63	Calculated Property
η	0.0005608	Pa×s	474.70	Calculated Property
η	0.0003882	Pa×s	502.78	Calculated Property
η	0.0002794	Pa×s	530.85	Calculated Property
η	0.0002079	Pa×s	558.92	Calculated Property
η	0.0001591	Pa×s	586.99	Calculated Property
η	0.0001247	Pa×s	615.06	Calculated Property
η	0.0000999	Pa×s	643.13	Calculated Property

Similar Compounds

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