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

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

InChI
InChI=1S/C28H47F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-23(36)25(5-2,6-3)24(37)39-22-26(29,30)27(31,32)28(33,34)35/h4-22H2,1-3H3
InChI Key
GXJOTEMWFIGBEG-UHFFFAOYSA-N
Formula
C28H47F7O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
580.67
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Physical Properties

Property Value Unit Source
ΔfH°gas -2631.38 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 68.92 kJ/mol Joback Calculated Property
ΔvapH° 123.98 kJ/mol Relay (1.0) Calculated Property
log10WS -8.94 Relay (1.0) Calculated Property
logPoct/wat 9.584 Crippen Calculated Property
McVol 432.650 ml/mol McGowan Calculated Property
Inp [2575.00; 2575.00]   Show Hide
Inp 2575.00 NIST
Inp 2575.00 NIST
Tboil 646.61 K Relay (1.0) Calculated Property
Tfus 293.29 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 [683.69; 1535.46] 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-2.70010e+01
Coefficient B3.14006e+00
Coefficient C-2.11220e-03
Coefficient D5.34600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 683.69 J/mol×K 273.00 Calculated Property
Cp,gas 843.19 J/mol×K 353.78 Calculated Property
Cp,gas 982.53 J/mol×K 434.56 Calculated Property
Cp,gas 1103.41 J/mol×K 515.33 Calculated Property
Cp,gas 1207.50 J/mol×K 596.11 Calculated Property
Cp,gas 1296.50 J/mol×K 676.89 Calculated Property
Cp,gas 1372.11 J/mol×K 757.67 Calculated Property
Cp,gas 1436.01 J/mol×K 838.44 Calculated Property
Cp,gas 1489.90 J/mol×K 919.22 Calculated Property
Cp,gas 1535.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Diethylmalonic acid, dodecyl 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 tridecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl 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, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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

Sources

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