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

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

InChI
InChI=1S/C23H33F3O4/c1-4-5-6-7-8-9-10-11-12-13-16-29-21(27)23(2,3)22(28)30-18-15-14-17(24)19(25)20(18)26/h14-15H,4-13,16H2,1-3H3
InChI Key
ATIIFKVUZFIFRE-UHFFFAOYSA-N
Formula
C23H33F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
430.50
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Physical Properties

Property Value Unit Source
ΔfusH° 58.76 kJ/mol Joback Calculated Property
log10WS -7.29 Relay (1.0) Calculated Property
logPoct/wat 6.500 Crippen Calculated Property
McVol 331.360 ml/mol McGowan Calculated Property
Pc 949.08 kPa Joback Calculated Property
Inp [2437.00; 2437.00]   Show Hide
Inp 2437.00 NIST
Inp 2437.00 NIST
Tboil 619.95 K Relay (1.0) Calculated Property
Tfus 295.88 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 [1064.36; 1142.23] J/mol×K [878.48; 1076.17] Show Hide
Cp,gas 1064.36 J/mol×K 878.48 Joback Calculated Property
Cp,gas 1080.33 J/mol×K 911.43 Joback Calculated Property
Cp,gas 1095.05 J/mol×K 944.38 Joback Calculated Property
Cp,gas 1108.56 J/mol×K 977.33 Joback Calculated Property
Cp,gas 1120.90 J/mol×K 1010.28 Joback Calculated Property
Cp,gas 1132.11 J/mol×K 1043.22 Joback Calculated Property
Cp,gas 1142.23 J/mol×K 1076.17 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, 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, 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, dodecyl 2,3,4-trifluorophenyl ester.

Sources

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