Chemical Properties of Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester

Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester

InChI
InChI=1S/C14H15ClF2O3/c1-3-14(4-2,12(15)18)13(19)20-8-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3
InChI Key
KSDRHKAAYKYYMG-UHFFFAOYSA-N
Formula
C14H15ClF2O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
304.72
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 34.19 kJ/mol Joback Calculated Property
logPoct/wat 3.580 Crippen Calculated Property
McVol 209.150 ml/mol McGowan Calculated Property
Inp 1743.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [553.34; 617.61] J/mol×K [701.39; 905.08] Show Hide
Cp,gas 553.34 J/mol×K 701.39 Joback Calculated Property
Cp,gas 566.23 J/mol×K 735.34 Joback Calculated Property
Cp,gas 578.21 J/mol×K 769.29 Joback Calculated Property
Cp,gas 589.29 J/mol×K 803.24 Joback Calculated Property
Cp,gas 599.53 J/mol×K 837.19 Joback Calculated Property
Cp,gas 608.96 J/mol×K 871.13 Joback Calculated Property
Cp,gas 617.61 J/mol×K 905.08 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, monochloride, 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, di(3,4-difluorobenzyl) ester. Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester. Diethylmalonic acid, monochloride, 3-methylbenzyl ester. Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, monochloride, 3-chlorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, monochloride, 2-naphthylmethyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester.

Find more compounds similar to Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester.

Sources

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.