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

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

InChI
InChI=1S/C28H43F3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-26(32)28(2,3)27(33)35-23-20-19-22(29)24(30)25(23)31/h19-20H,4-18,21H2,1-3H3
InChI Key
CNTUBCYAEAGROR-UHFFFAOYSA-N
Formula
C28H43F3O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
500.64
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Physical Properties

Property Value Unit Source
ΔfusH° 71.71 kJ/mol Joback Calculated Property
log10WS -8.66 Relay (1.0) Calculated Property
logPoct/wat 8.450 Crippen Calculated Property
McVol 401.810 ml/mol McGowan Calculated Property
Pc 720.30 kPa Joback Calculated Property
Inp [2934.00; 2934.00]   Show Hide
Inp 2934.00 NIST
Inp 2934.00 NIST
Tboil 658.75 K Relay (1.0) Calculated Property
Tfus 307.89 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [605.67; 1375.13] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.10460e+01
Coefficient B2.45806e+00
Coefficient C-1.36128e-03
Coefficient D2.47300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 605.67 J/mol×K 273.00 Calculated Property
Cp,gas 741.23 J/mol×K 353.78 Calculated Property
Cp,gas 862.44 J/mol×K 434.56 Calculated Property
Cp,gas 970.10 J/mol×K 515.33 Calculated Property
Cp,gas 1064.98 J/mol×K 596.11 Calculated Property
Cp,gas 1147.87 J/mol×K 676.89 Calculated Property
Cp,gas 1219.54 J/mol×K 757.67 Calculated Property
Cp,gas 1280.79 J/mol×K 838.44 Calculated Property
Cp,gas 1332.39 J/mol×K 919.22 Calculated Property
Cp,gas 1375.13 J/mol×K 1000.00 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, 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, heptadecyl 2,3,4-trifluorophenyl ester.

Sources

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