Chemical Properties of Diethylmalonic acid, di(2,3,4-trifluorophenyl) ester

Diethylmalonic acid, di(2,3,4-trifluorophenyl) ester

InChI
InChI=1S/C19H14F6O4/c1-3-19(4-2,17(26)28-11-7-5-9(20)13(22)15(11)24)18(27)29-12-8-6-10(21)14(23)16(12)25/h5-8H,3-4H2,1-2H3
InChI Key
DNGLADCQRZZKGL-UHFFFAOYSA-N
Formula
C19H14F6O4
SMILES
CCC(CC)(C(=O)Oc1ccc(F)c(F)c1F)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
420.30
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° 50.52 kJ/mol Joback Calculated Property
logPoct/wat 4.839 Crippen Calculated Property
McVol 256.550 ml/mol McGowan Calculated Property
Inp [2049.00; 2049.00]   Show Hide
Inp 2049.00 NIST
Inp 2049.00 NIST
Tboil 600.77 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [755.76; 809.03] J/mol×K [826.39; 1024.22] Show Hide
Cp,gas 755.76 J/mol×K 826.39 Joback Calculated Property
Cp,gas 767.13 J/mol×K 859.36 Joback Calculated Property
Cp,gas 777.48 J/mol×K 892.33 Joback Calculated Property
Cp,gas 786.81 J/mol×K 925.31 Joback Calculated Property
Cp,gas 795.17 J/mol×K 958.28 Joback Calculated Property
Cp,gas 802.57 J/mol×K 991.25 Joback Calculated Property
Cp,gas 809.03 J/mol×K 1024.22 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, ethyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, monochloride, 2,3,4-trifluorophenyl ester. Diethylmalonic acid, di(2-fluorophenyl) ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, di(3-fluorophenyl) ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester. 2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dipentafluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester.

Find more compounds similar to Diethylmalonic acid, di(2,3,4-trifluorophenyl) 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.