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

InChI

InChI=1S/C12H20Cl2O4/c1-4-7-17-10(15)12(5-2,6-3)11(16)18-8-9(13)14/h9H,4-8H2,1-3H3

InChI Key

CTXJBPOLAOHOQD-UHFFFAOYSA-N

Formula

C12H20Cl2O4

SMILES

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

Molecular Weight¹

299.19

• 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	-938.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.03	kJ/mol	Joback Calculated Property
ΔvapH°	78.05	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.093		Crippen Calculated Property
McVol	219.300	ml/mol	McGowan Calculated Property
Inp	[1627.00; 1627.00]
Inp	1627.00		NIST
Inp	1627.00		NIST
Tboil	559.16	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	[566.87; 638.25]	J/mol×K	[661.79; 854.34]
Cp,gas	566.87	J/mol×K	661.79	Joback Calculated Property
Cp,gas	580.93	J/mol×K	693.88	Joback Calculated Property
Cp,gas	594.09	J/mol×K	725.97	Joback Calculated Property
Cp,gas	606.39	J/mol×K	758.07	Joback Calculated Property
Cp,gas	617.83	J/mol×K	790.16	Joback Calculated Property
Cp,gas	628.44	J/mol×K	822.25	Joback Calculated Property
Cp,gas	638.25	J/mol×K	854.34	Joback Calculated Property
η	[0.0000806; 0.0031521]	Pa×s	[356.92; 661.79]
η	0.0031521	Pa×s	356.92	Joback Calculated Property
η	0.0011690	Pa×s	407.73	Joback Calculated Property
η	0.0005402	Pa×s	458.54	Joback Calculated Property
η	0.0002912	Pa×s	509.36	Joback Calculated Property
η	0.0001756	Pa×s	560.17	Joback Calculated Property
η	0.0001151	Pa×s	610.98	Joback Calculated Property
η	0.0000806	Pa×s	661.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl propyl 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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