Chemical Properties of Diethylmalonic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

Diethylmalonic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI
InChI=1S/C13H17F7O4/c1-4-10(5-2,8(21)23-6-3)9(22)24-7-11(14,15)12(16,17)13(18,19)20/h4-7H2,1-3H3
InChI Key
WTALSGPMYBXNIS-UHFFFAOYSA-N
Formula
C13H17F7O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
370.26
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Physical Properties

Property Value Unit Source
ΔfusH° 30.07 kJ/mol Joback Calculated Property
IE 10.26 eV Relay (1.0) Calculated Property
logPoct/wat 3.732 Crippen Calculated Property
McVol 221.300 ml/mol McGowan Calculated Property
Inp [1216.00; 1216.00]   Show Hide
Inp 1216.00 NIST
Inp 1216.00 NIST
Tboil 486.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [365.49; 761.59] 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-1.33660e+01
Coefficient B1.71506e+00
Coefficient C-1.29620e-03
Coefficient D3.56100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 365.49 J/mol×K 273.00 Calculated Property
Cp,gas 446.92 J/mol×K 353.78 Calculated Property
Cp,gas 516.37 J/mol×K 434.56 Calculated Property
Cp,gas 574.97 J/mol×K 515.33 Calculated Property
Cp,gas 623.83 J/mol×K 596.11 Calculated Property
Cp,gas 664.09 J/mol×K 676.89 Calculated Property
Cp,gas 696.87 J/mol×K 757.67 Calculated Property
Cp,gas 723.29 J/mol×K 838.44 Calculated Property
Cp,gas 744.49 J/mol×K 919.22 Calculated Property
Cp,gas 761.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester. Diethylmalonic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester.

Find more compounds similar to Diethylmalonic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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