Chemical Properties of Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C14H23F3O4/c1-6-13(7-2,11(18)20-8-9(3)4)12(19)21-10(5)14(15,16)17/h9-10H,6-8H2,1-5H3
InChI Key
CAPXWQRHMYIMDV-UHFFFAOYSA-N
Formula
C14H23F3O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C)C(F)(F)F
Molecular Weight1
312.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -1603.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.12 kJ/mol Joback Calculated Property
ΔvapH° 69.07 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.486 Crippen Calculated Property
McVol 228.310 ml/mol McGowan Calculated Property
Inp [1295.00; 1295.00]   Show Hide
Inp 1295.00 NIST
Inp 1295.00 NIST
Tboil 500.22 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [356.20; 783.04] 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 A6.94300e+00
Coefficient B1.52310e+00
Coefficient C-9.47800e-04
Coefficient D2.00800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 356.20 J/mol×K 273.00 Calculated Property
Cp,gas 436.05 J/mol×K 353.78 Calculated Property
Cp,gas 506.31 J/mol×K 434.56 Calculated Property
Cp,gas 567.62 J/mol×K 515.33 Calculated Property
Cp,gas 620.62 J/mol×K 596.11 Calculated Property
Cp,gas 665.93 J/mol×K 676.89 Calculated Property
Cp,gas 704.19 J/mol×K 757.67 Calculated Property
Cp,gas 736.04 J/mol×K 838.44 Calculated Property
Cp,gas 762.11 J/mol×K 919.22 Calculated Property
Cp,gas 783.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, isobutyl isopropyl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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