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

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

InChI
InChI=1S/C22H31F3O4/c1-4-5-6-7-8-9-10-11-12-15-28-20(26)22(2,3)21(27)29-17-14-13-16(23)18(24)19(17)25/h13-14H,4-12,15H2,1-3H3
InChI Key
JFCKUISHCGKTSH-UHFFFAOYSA-N
Formula
C22H31F3O4
SMILES
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
416.47
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Physical Properties

Property Value Unit Source
ΔfusH° 56.17 kJ/mol Joback Calculated Property
log10WS -7.01 Relay (1.0) Calculated Property
logPoct/wat 6.109 Crippen Calculated Property
McVol 317.270 ml/mol McGowan Calculated Property
Pc 1007.81 kPa Joback Calculated Property
Inp [2338.00; 2338.00]   Show Hide
Inp 2338.00 NIST
Inp 2338.00 NIST
Tboil 611.66 K Relay (1.0) Calculated Property
Tfus 292.84 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 [1004.51; 1081.54] J/mol×K [855.60; 1049.70] Show Hide
Cp,gas 1004.51 J/mol×K 855.60 Joback Calculated Property
Cp,gas 1020.20 J/mol×K 887.95 Joback Calculated Property
Cp,gas 1034.69 J/mol×K 920.30 Joback Calculated Property
Cp,gas 1048.04 J/mol×K 952.65 Joback Calculated Property
Cp,gas 1060.27 J/mol×K 985.00 Joback Calculated Property
Cp,gas 1071.43 J/mol×K 1017.35 Joback Calculated Property
Cp,gas 1081.54 J/mol×K 1049.70 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, pentadecyl 2,3,4-trifluorophenyl 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, 2,3,4-trifluorophenyl undecyl ester.

Sources

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