Chemical Properties of Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester

Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester

InChI
InChI=1S/C21H36F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-28-18(26)20(2,3)19(27)29-16-21(24,25)17(22)23/h17H,4-16H2,1-3H3
InChI Key
CHTNJSVWRHOTDT-UHFFFAOYSA-N
Formula
C21H36F4O4
SMILES
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F
Molecular Weight1
428.51
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Physical Properties

Property Value Unit Source
ΔfH°gas -1877.39 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.85 kJ/mol Joback Calculated Property
ΔvapH° 99.88 kJ/mol Relay (1.0) Calculated Property
log10WS -6.60 Relay (1.0) Calculated Property
logPoct/wat 6.310 Crippen Calculated Property
McVol 328.710 ml/mol McGowan Calculated Property
Inp [2114.00; 2114.00]   Show Hide
Inp 2114.00 NIST
Inp 2114.00 NIST
Tboil 588.31 K Relay (1.0) Calculated Property
Tfus 302.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [513.21; 1150.71] 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 A8.35300e+00
Coefficient B2.19396e+00
Coefficient C-1.34180e-03
Coefficient D2.90200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 513.21 J/mol×K 273.00 Calculated Property
Cp,gas 629.44 J/mol×K 353.78 Calculated Property
Cp,gas 732.18 J/mol×K 434.56 Calculated Property
Cp,gas 822.35 J/mol×K 515.33 Calculated Property
Cp,gas 900.86 J/mol×K 596.11 Calculated Property
Cp,gas 968.64 J/mol×K 676.89 Calculated Property
Cp,gas 1026.59 J/mol×K 757.67 Calculated Property
Cp,gas 1075.64 J/mol×K 838.44 Calculated Property
Cp,gas 1116.71 J/mol×K 919.22 Calculated Property
Cp,gas 1150.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, nonyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, decyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl undecyl ester. Dimethylmalonic acid, heptadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, dodecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, hexadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, tetradecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, heptyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester.

Find more compounds similar to Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester.

Sources

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