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

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

InChI
InChI=1S/C14H21F5O4/c1-5-12(6-2,10(20)22-7-9(3)4)11(21)23-8-13(15,16)14(17,18)19/h9H,5-8H2,1-4H3
InChI Key
GKGLJXZSBCVIML-UHFFFAOYSA-N
Formula
C14H21F5O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(F)(F)C(F)(F)F
Molecular Weight1
348.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -1988.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.39 kJ/mol Joback Calculated Property
ΔvapH° 70.12 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.733 Crippen Calculated Property
McVol 231.850 ml/mol McGowan Calculated Property
Inp [1237.00; 1237.00]   Show Hide
Inp 1237.00 NIST
Inp 1237.00 NIST
Tboil 500.35 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 [371.45; 798.11] 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 A-3.66600e+00
Coefficient B1.66658e+00
Coefficient C-1.14920e-03
Coefficient D2.84400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 371.45 J/mol×K 273.00 Calculated Property
Cp,gas 454.69 J/mol×K 353.78 Calculated Property
Cp,gas 526.88 J/mol×K 434.56 Calculated Property
Cp,gas 588.91 J/mol×K 515.33 Calculated Property
Cp,gas 641.68 J/mol×K 596.11 Calculated Property
Cp,gas 686.09 J/mol×K 676.89 Calculated Property
Cp,gas 723.04 J/mol×K 757.67 Calculated Property
Cp,gas 753.42 J/mol×K 838.44 Calculated Property
Cp,gas 778.15 J/mol×K 919.22 Calculated Property
Cp,gas 798.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl propyl ester. Diethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, propyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl undecyl ester. Diethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester. Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester.

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

Sources

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