Chemical Properties of Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl ester

Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl ester

InChI
InChI=1S/C14H22F4O4/c1-5-13(6-2,11(19)21-7-9(3)4)12(20)22-8-14(17,18)10(15)16/h9-10H,5-8H2,1-4H3
InChI Key
DADYJHRGEFTVJH-UHFFFAOYSA-N
Formula
C14H22F4O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(F)(F)C(F)F
Molecular Weight1
330.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1740.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.20 kJ/mol Joback Calculated Property
ΔvapH° 73.80 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.436 Crippen Calculated Property
McVol 230.080 ml/mol McGowan Calculated Property
Inp [1345.00; 1345.00]   Show Hide
Inp 1345.00 NIST
Inp 1345.00 NIST
Tboil 519.75 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 [364.39; 790.11] 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 A1.30340e+01
Coefficient B1.53488e+00
Coefficient C-9.64200e-04
Coefficient D2.06400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.39 J/mol×K 273.00 Calculated Property
Cp,gas 444.50 J/mol×K 353.78 Calculated Property
Cp,gas 514.88 J/mol×K 434.56 Calculated Property
Cp,gas 576.19 J/mol×K 515.33 Calculated Property
Cp,gas 629.09 J/mol×K 596.11 Calculated Property
Cp,gas 674.21 J/mol×K 676.89 Calculated Property
Cp,gas 712.23 J/mol×K 757.67 Calculated Property
Cp,gas 743.78 J/mol×K 838.44 Calculated Property
Cp,gas 769.52 J/mol×K 919.22 Calculated Property
Cp,gas 790.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, propyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, ethyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, di(2,2,3,3-tetrafluoropropyl) ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl propyl ester. Diethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, heptyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Diethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester.

Find more compounds similar to Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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