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

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

InChI
InChI=1S/C21H33F7O4/c1-4-7-8-9-10-11-12-13-14-31-16(29)18(5-2,6-3)17(30)32-15-19(22,23)20(24,25)21(26,27)28/h4-15H2,1-3H3
InChI Key
DQCYAWQCXJMHAF-UHFFFAOYSA-N
Formula
C21H33F7O4
SMILES
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
482.47
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Physical Properties

Property Value Unit Source
ΔfH°gas -2496.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 50.79 kJ/mol Joback Calculated Property
ΔvapH° 96.55 kJ/mol Relay (1.0) Calculated Property
log10WS -7.11 Relay (1.0) Calculated Property
logPoct/wat 6.853 Crippen Calculated Property
McVol 334.020 ml/mol McGowan Calculated Property
Inp [1904.00; 1904.00]   Show Hide
Inp 1904.00 NIST
Inp 1904.00 NIST
Tboil 582.57 K Relay (1.0) Calculated Property
Tfus 274.17 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 [535.20; 1174.32] 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-2.06380e+01
Coefficient B2.47506e+00
Coefficient C-1.73140e-03
Coefficient D4.51300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 535.20 J/mol×K 273.00 Calculated Property
Cp,gas 658.27 J/mol×K 353.78 Calculated Property
Cp,gas 764.99 J/mol×K 434.56 Calculated Property
Cp,gas 856.80 J/mol×K 515.33 Calculated Property
Cp,gas 935.12 J/mol×K 596.11 Calculated Property
Cp,gas 1001.38 J/mol×K 676.89 Calculated Property
Cp,gas 1057.00 J/mol×K 757.67 Calculated Property
Cp,gas 1103.41 J/mol×K 838.44 Calculated Property
Cp,gas 1142.04 J/mol×K 919.22 Calculated Property
Cp,gas 1174.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester.

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

Sources

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