Chemical Properties of Dimethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester

Dimethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester

InChI
InChI=1S/C19H12F8O4/c1-17(2,15(28)30-11-7-3-5-9(13(11)20)18(22,23)24)16(29)31-12-8-4-6-10(14(12)21)19(25,26)27/h3-8H,1-2H3
InChI Key
IIWWKZUQVUTOAD-UHFFFAOYSA-N
Formula
C19H12F8O4
SMILES
CC(C)(C(=O)Oc1cccc(C(F)(F)F)c1F)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
456.28
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
Δfus 42.63 kJ/mol Joback Calculated Property
logPoct/wat 5.540 Crippen Calculated Property
McVol 260.090 ml/mol McGowan Calculated Property
Inp [1910.00; 1910.00]   Show Hide
Inp 1910.00 NIST
Inp 1910.00 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 [777.05; 828.64] J/mol×K [808.51; 1005.90] Show Hide
Cp,gas 777.05 J/mol×K 808.51 Joback Calculated Property
Cp,gas 787.99 J/mol×K 841.41 Joback Calculated Property
Cp,gas 797.89 J/mol×K 874.31 Joback Calculated Property
Cp,gas 806.85 J/mol×K 907.21 Joback Calculated Property
Cp,gas 814.91 J/mol×K 940.11 Joback Calculated Property
Cp,gas 822.15 J/mol×K 973.00 Joback Calculated Property
Cp,gas 828.64 J/mol×K 1005.90 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester. Dimethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octyl ester. Dimethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tetradecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester.

Find more compounds similar to Dimethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) 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.