Chemical Properties of Diethylmalonic acid, monochloride, 2,2-dichloroethyl ester

InChI

InChI=1S/C9H13Cl3O3/c1-3-9(4-2,7(12)13)8(14)15-5-6(10)11/h6H,3-5H2,1-2H3

InChI Key

CECXJNPFGGUCOD-UHFFFAOYSA-N

Formula

C9H13Cl3O3

SMILES

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

Molecular Weight¹

275.56

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.69	kJ/mol	Joback Calculated Property
logPoct/wat	2.905		Crippen Calculated Property
McVol	183.400	ml/mol	McGowan Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
Tboil	531.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.83; 478.95]	J/mol×K	[626.23; 834.07]
Cp,gas	421.83	J/mol×K	626.23	Joback Calculated Property
Cp,gas	433.25	J/mol×K	660.87	Joback Calculated Property
Cp,gas	443.87	J/mol×K	695.51	Joback Calculated Property
Cp,gas	453.71	J/mol×K	730.15	Joback Calculated Property
Cp,gas	462.82	J/mol×K	764.79	Joback Calculated Property
Cp,gas	471.22	J/mol×K	799.43	Joback Calculated Property
Cp,gas	478.95	J/mol×K	834.07	Joback Calculated Property
η	[0.0001581; 0.0033090]	Pa×s	[360.63; 626.23]
η	0.0033090	Pa×s	360.63	Joback Calculated Property
η	0.0015108	Pa×s	404.90	Joback Calculated Property
η	0.0008051	Pa×s	449.16	Joback Calculated Property
η	0.0004803	Pa×s	493.43	Joback Calculated Property
η	0.0003120	Pa×s	537.70	Joback Calculated Property
η	0.0002164	Pa×s	581.96	Joback Calculated Property
η	0.0001581	Pa×s	626.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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