Chemical Properties of Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester

Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C18H23F3O4/c1-4-7-8-11-24-16(22)18(5-2,6-3)17(23)25-13-10-9-12(19)14(20)15(13)21/h9-10H,4-8,11H2,1-3H3
InChI Key
BGSZFAVVOBOQTL-UHFFFAOYSA-N
Formula
C18H23F3O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
360.37
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Physical Properties

Property Value Unit Source
ΔfusH° 45.81 kJ/mol Joback Calculated Property
log10WS -5.55 Relay (1.0) Calculated Property
logPoct/wat 4.549 Crippen Calculated Property
McVol 260.910 ml/mol McGowan Calculated Property
Pc 1307.06 kPa Joback Calculated Property
Inp [1897.00; 1897.00]   Show Hide
Inp 1897.00 NIST
Inp 1897.00 NIST
Tboil 580.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [772.50; 845.62] J/mol×K [764.08; 951.39] Show Hide
Cp,gas 772.50 J/mol×K 764.08 Joback Calculated Property
Cp,gas 787.10 J/mol×K 795.30 Joback Calculated Property
Cp,gas 800.71 J/mol×K 826.52 Joback Calculated Property
Cp,gas 813.33 J/mol×K 857.74 Joback Calculated Property
Cp,gas 825.01 J/mol×K 888.96 Joback Calculated Property
Cp,gas 835.77 J/mol×K 920.17 Joback Calculated Property
Cp,gas 845.62 J/mol×K 951.39 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester.

Sources

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