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

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

InChI
InChI=1S/C20H27F3O4/c1-4-5-6-7-8-9-10-13-26-18(24)20(2,3)19(25)27-15-12-11-14(21)16(22)17(15)23/h11-12H,4-10,13H2,1-3H3
InChI Key
BWCPNKVDWQSXIQ-UHFFFAOYSA-N
Formula
C20H27F3O4
SMILES
CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
388.42
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Physical Properties

Property Value Unit Source
ΔfusH° 50.99 kJ/mol Joback Calculated Property
log10WS -6.44 Relay (1.0) Calculated Property
logPoct/wat 5.329 Crippen Calculated Property
McVol 289.090 ml/mol McGowan Calculated Property
Pc 1142.89 kPa Joback Calculated Property
Inp [2142.00; 2142.00]   Show Hide
Inp 2142.00 NIST
Inp 2142.00 NIST
Tboil 593.89 K Relay (1.0) Calculated Property
Tfus 286.26 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 [886.90; 962.14] J/mol×K [809.84; 999.14] Show Hide
Cp,gas 886.90 J/mol×K 809.84 Joback Calculated Property
Cp,gas 902.04 J/mol×K 841.39 Joback Calculated Property
Cp,gas 916.10 J/mol×K 872.94 Joback Calculated Property
Cp,gas 929.12 J/mol×K 904.49 Joback Calculated Property
Cp,gas 941.11 J/mol×K 936.04 Joback Calculated Property
Cp,gas 952.11 J/mol×K 967.59 Joback Calculated Property
Cp,gas 962.14 J/mol×K 999.14 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, dodecyl 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, nonyl 2,3,4-trifluorophenyl ester.

Sources

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