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

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

InChI
InChI=1S/C15H25F3O4/c1-5-8-9-10-21-12(19)14(6-2,7-3)13(20)22-11(4)15(16,17)18/h11H,5-10H2,1-4H3
InChI Key
PAZYBNWGBUHWKI-UHFFFAOYSA-N
Formula
C15H25F3O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
326.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -1608.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.23 kJ/mol Joback Calculated Property
ΔvapH° 74.10 kJ/mol Relay (1.0) Calculated Property
log10WS -3.90 Relay (1.0) Calculated Property
logPoct/wat 4.020 Crippen Calculated Property
McVol 242.400 ml/mol McGowan Calculated Property
Inp [1425.00; 1425.00]   Show Hide
Inp 1425.00 NIST
Inp 1425.00 NIST
Tboil 516.17 K Relay (1.0) Calculated Property
Tfus 268.53 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 [377.72; 834.10] 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 A7.71600e+00
Coefficient B1.61218e+00
Coefficient C-9.99000e-04
Coefficient D2.13200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.72 J/mol×K 273.00 Calculated Property
Cp,gas 462.48 J/mol×K 353.78 Calculated Property
Cp,gas 537.14 J/mol×K 434.56 Calculated Property
Cp,gas 602.40 J/mol×K 515.33 Calculated Property
Cp,gas 658.92 J/mol×K 596.11 Calculated Property
Cp,gas 707.38 J/mol×K 676.89 Calculated Property
Cp,gas 748.46 J/mol×K 757.67 Calculated Property
Cp,gas 782.82 J/mol×K 838.44 Calculated Property
Cp,gas 811.14 J/mol×K 919.22 Calculated Property
Cp,gas 834.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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