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

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

InChI
InChI=1S/C29H45F3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-27(33)29(2,3)28(34)36-24-21-20-23(30)25(31)26(24)32/h20-21H,4-19,22H2,1-3H3
InChI Key
UWRFYUJMBODPAI-UHFFFAOYSA-N
Formula
C29H45F3O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
514.66
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Physical Properties

Property Value Unit Source
ΔfusH° 74.30 kJ/mol Joback Calculated Property
log10WS -8.93 Relay (1.0) Calculated Property
logPoct/wat 8.840 Crippen Calculated Property
McVol 415.900 ml/mol McGowan Calculated Property
Pc 684.57 kPa Joback Calculated Property
Inp [3040.00; 3040.00]   Show Hide
Inp 3040.00 NIST
Inp 3040.00 NIST
Tboil 665.90 K Relay (1.0) Calculated Property
Tfus 309.97 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 [1434.43; 1517.13] J/mol×K [1015.76; 1256.28] Show Hide
Cp,gas 1434.43 J/mol×K 1015.76 Joback Calculated Property
Cp,gas 1452.66 J/mol×K 1055.85 Joback Calculated Property
Cp,gas 1468.97 J/mol×K 1095.93 Joback Calculated Property
Cp,gas 1483.48 J/mol×K 1136.02 Joback Calculated Property
Cp,gas 1496.27 J/mol×K 1176.11 Joback Calculated Property
Cp,gas 1507.46 J/mol×K 1216.20 Joback Calculated Property
Cp,gas 1517.13 J/mol×K 1256.28 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 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, 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, octadecyl 2,3,4-trifluorophenyl ester.

Sources

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