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

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

InChI
InChI=1S/C27H45F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-22(35)24(5-2,6-3)23(36)38-21-25(28,29)26(30,31)27(32,33)34/h4-21H2,1-3H3
InChI Key
MBRJCEPIVGMNMG-UHFFFAOYSA-N
Formula
C27H45F7O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
566.64
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Physical Properties

Property Value Unit Source
ΔfH°gas -2611.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 66.33 kJ/mol Joback Calculated Property
ΔvapH° 120.24 kJ/mol Relay (1.0) Calculated Property
log10WS -8.69 Relay (1.0) Calculated Property
logPoct/wat 9.193 Crippen Calculated Property
McVol 418.560 ml/mol McGowan Calculated Property
Inp [2480.00; 2480.00]   Show Hide
Inp 2480.00 NIST
Inp 2480.00 NIST
Tboil 638.34 K Relay (1.0) Calculated Property
Tfus 291.23 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 [662.48; 1483.87] 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-2.60920e+01
Coefficient B3.04506e+00
Coefficient C-2.05780e-03
Coefficient D5.22700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 662.48 J/mol×K 273.00 Calculated Property
Cp,gas 816.78 J/mol×K 353.78 Calculated Property
Cp,gas 951.46 J/mol×K 434.56 Calculated Property
Cp,gas 1068.18 J/mol×K 515.33 Calculated Property
Cp,gas 1168.59 J/mol×K 596.11 Calculated Property
Cp,gas 1254.34 J/mol×K 676.89 Calculated Property
Cp,gas 1327.10 J/mol×K 757.67 Calculated Property
Cp,gas 1388.50 J/mol×K 838.44 Calculated Property
Cp,gas 1440.21 J/mol×K 919.22 Calculated Property
Cp,gas 1483.87 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 octyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl 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, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester.

Sources

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