Chemical Properties of Diethylmalonic acid, monochloride, 3-chlorobenzyl ester

InChI

InChI=1S/C14H16Cl2O3/c1-3-14(4-2,12(16)17)13(18)19-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3

InChI Key

KSCQBHVFCHRFAB-UHFFFAOYSA-N

Formula

C14H16Cl2O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

303.18

• 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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[566.97; 629.96]	J/mol×K	[753.17; 977.79]
Cp,gas	566.97	J/mol×K	753.17	Joback Calculated Property
Cp,gas	579.78	J/mol×K	790.61	Joback Calculated Property
Cp,gas	591.60	J/mol×K	828.04	Joback Calculated Property
Cp,gas	602.47	J/mol×K	865.48	Joback Calculated Property
Cp,gas	612.45	J/mol×K	902.92	Joback Calculated Property
Cp,gas	621.60	J/mol×K	940.35	Joback Calculated Property
Cp,gas	629.96	J/mol×K	977.79	Joback Calculated Property
η	[0.0001026; 0.0009599]	Pa×s	[470.83; 753.17]
η	0.0009599	Pa×s	470.83	Joback Calculated Property
η	0.0005583	Pa×s	517.89	Joback Calculated Property
η	0.0003554	Pa×s	564.94	Joback Calculated Property
η	0.0002425	Pa×s	612.00	Joback Calculated Property
η	0.0001747	Pa×s	659.06	Joback Calculated Property
η	0.0001315	Pa×s	706.11	Joback Calculated Property
η	0.0001026	Pa×s	753.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-chlorobenzyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.