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

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

InChI
InChI=1S/C19H29F7O4/c1-4-7-8-9-10-11-12-29-14(27)16(5-2,6-3)15(28)30-13-17(20,21)18(22,23)19(24,25)26/h4-13H2,1-3H3
InChI Key
YVNZYVKZCKJCQZ-UHFFFAOYSA-N
Formula
C19H29F7O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
454.42
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Physical Properties

Property Value Unit Source
ΔfH°gas -2457.56 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 45.61 kJ/mol Joback Calculated Property
ΔvapH° 88.18 kJ/mol Relay (1.0) Calculated Property
log10WS -6.54 Relay (1.0) Calculated Property
logPoct/wat 6.073 Crippen Calculated Property
McVol 305.840 ml/mol McGowan Calculated Property
Inp [1723.00; 1723.00]   Show Hide
Inp 1723.00 NIST
Inp 1723.00 NIST
Tboil 560.62 K Relay (1.0) Calculated Property
Tfus 267.70 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 [492.77; 1071.14] 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-1.88200e+01
Coefficient B2.28506e+00
Coefficient C-1.62260e-03
Coefficient D4.27500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 492.77 J/mol×K 273.00 Calculated Property
Cp,gas 605.43 J/mol×K 353.78 Calculated Property
Cp,gas 702.84 J/mol×K 434.56 Calculated Property
Cp,gas 786.34 J/mol×K 515.33 Calculated Property
Cp,gas 857.30 J/mol×K 596.11 Calculated Property
Cp,gas 917.05 J/mol×K 676.89 Calculated Property
Cp,gas 966.97 J/mol×K 757.67 Calculated Property
Cp,gas 1008.38 J/mol×K 838.44 Calculated Property
Cp,gas 1042.66 J/mol×K 919.22 Calculated Property
Cp,gas 1071.14 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, decyl 2,2,3,3,4,4,4-heptafluorobutyl 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, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester.

Sources

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