Chemical Properties of Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester

Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C14H15F3O4/c1-4-7-20-12(18)14(2,3)13(19)21-9-6-5-8(15)10(16)11(9)17/h5-6H,4,7H2,1-3H3
InChI Key
JVALGMNLDYMAPK-UHFFFAOYSA-N
Formula
C14H15F3O4
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
304.26
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Physical Properties

Property Value Unit Source
ΔfusH° 32.29 kJ/mol Joback Calculated Property
ΔvapH° 72.83 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.989 Crippen Calculated Property
McVol 204.550 ml/mol McGowan Calculated Property
Inp [1584.00; 1584.00]   Show Hide
Inp 1584.00 NIST
Inp 1584.00 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, 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 [564.45; 629.30] J/mol×K [708.50; 902.90] Show Hide
Cp,gas 564.45 J/mol×K 708.50 Joback Calculated Property
Cp,gas 577.20 J/mol×K 740.90 Joback Calculated Property
Cp,gas 589.16 J/mol×K 773.30 Joback Calculated Property
Cp,gas 600.34 J/mol×K 805.70 Joback Calculated Property
Cp,gas 610.74 J/mol×K 838.10 Joback Calculated Property
Cp,gas 620.39 J/mol×K 870.50 Joback Calculated Property
Cp,gas 629.30 J/mol×K 902.90 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester.

Sources

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