Chemical Properties of Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester

Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester

InChI
InChI=1S/C19H25F3O4/c1-4-7-12-25-16(23)18(5-2,6-3)17(24)26-13-14-8-10-15(11-9-14)19(20,21)22/h8-11H,4-7,12-13H2,1-3H3
InChI Key
KRROYZMYKLBHTH-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
374.39
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
ΔfH°gas -1428.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.77 kJ/mol Joback Calculated Property
ΔvapH° 90.89 kJ/mol Relay (1.0) Calculated Property
log10WS -4.89 Relay (1.0) Calculated Property
logPoct/wat 4.898 Crippen Calculated Property
McVol 275.000 ml/mol McGowan Calculated Property
Inp 1945.00 NIST
Tboil 596.35 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 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 [832.28; 908.13] J/mol×K [773.77; 965.04] Show Hide
Cp,gas 832.28 J/mol×K 773.77 Joback Calculated Property
Cp,gas 847.52 J/mol×K 805.65 Joback Calculated Property
Cp,gas 861.65 J/mol×K 837.53 Joback Calculated Property
Cp,gas 874.73 J/mol×K 869.41 Joback Calculated Property
Cp,gas 886.80 J/mol×K 901.28 Joback Calculated Property
Cp,gas 897.92 J/mol×K 933.16 Joback Calculated Property
Cp,gas 908.13 J/mol×K 965.04 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, ethyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-chlorobenzyl ester. Diethylmalonic acid, 4-bromobenzyl butyl ester. Diethylmalonic acid, 4-chlorobenzyl undecyl ester. Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 4-chlorobenzyl tridecyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester. Diethylmalonic acid, 4-chlorobenzyl octyl ester. Diethylmalonic acid, 4-chlorobenzyl heptyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 4-trifluoromethylbenzyl 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.