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

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

InChI
InChI=1S/C26H39F3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-24(30)26(2,3)25(31)33-21-18-17-20(27)22(28)23(21)29/h17-18H,4-16,19H2,1-3H3
InChI Key
QPVHAROMZFTIIM-UHFFFAOYSA-N
Formula
C26H39F3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
472.59
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Physical Properties

Property Value Unit Source
ΔfusH° 66.53 kJ/mol Joback Calculated Property
log10WS -8.11 Relay (1.0) Calculated Property
logPoct/wat 7.670 Crippen Calculated Property
McVol 373.630 ml/mol McGowan Calculated Property
Pc 800.69 kPa Joback Calculated Property
Inp 2725.00 NIST
Tboil 643.90 K Relay (1.0) Calculated Property
Tfus 303.67 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [1247.35; 1327.65] J/mol×K [947.12; 1161.20] Show Hide
Cp,gas 1247.35 J/mol×K 947.12 Joback Calculated Property
Cp,gas 1264.31 J/mol×K 982.80 Joback Calculated Property
Cp,gas 1279.76 J/mol×K 1018.48 Joback Calculated Property
Cp,gas 1293.76 J/mol×K 1054.16 Joback Calculated Property
Cp,gas 1306.36 J/mol×K 1089.84 Joback Calculated Property
Cp,gas 1317.64 J/mol×K 1125.52 Joback Calculated Property
Cp,gas 1327.65 J/mol×K 1161.20 Joback Calculated Property

Similar Compounds

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

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

Sources

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