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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.47; 624.33]	J/mol×K	[713.33; 918.76]
Cp,gas	567.47	J/mol×K	713.33	Joback Calculated Property
Cp,gas	579.16	J/mol×K	747.57	Joback Calculated Property
Cp,gas	589.93	J/mol×K	781.81	Joback Calculated Property
Cp,gas	599.80	J/mol×K	816.04	Joback Calculated Property
Cp,gas	608.81	J/mol×K	850.28	Joback Calculated Property
Cp,gas	616.97	J/mol×K	884.52	Joback Calculated Property
Cp,gas	624.33	J/mol×K	918.76	Joback Calculated Property
η	[0.0000619; 0.0023218]	Pa×s	[390.49; 713.33]
η	0.0023218	Pa×s	390.49	Joback Calculated Property
η	0.0008803	Pa×s	444.30	Joback Calculated Property
η	0.0004116	Pa×s	498.10	Joback Calculated Property
η	0.0002232	Pa×s	551.91	Joback Calculated Property
η	0.0001349	Pa×s	605.72	Joback Calculated Property
η	0.0000885	Pa×s	659.52	Joback Calculated Property
η	0.0000619	Pa×s	713.33	Joback 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

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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