Chemical Properties of Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester

Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester

InChI
InChI=1S/C18H29F5O4/c1-4-7-8-9-10-11-12-26-14(24)16(5-2,6-3)15(25)27-13-17(19,20)18(21,22)23/h4-13H2,1-3H3
InChI Key
JZZGUSXKLJMZGZ-UHFFFAOYSA-N
Formula
C18H29F5O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)F
Molecular Weight1
404.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -2047.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.27 kJ/mol Joback Calculated Property
ΔvapH° 85.49 kJ/mol Relay (1.0) Calculated Property
log10WS -5.90 Relay (1.0) Calculated Property
logPoct/wat 5.437 Crippen Calculated Property
McVol 288.210 ml/mol McGowan Calculated Property
Pc 1037.90 kPa Joback Calculated Property
Inp [1621.00; 1621.00]   Show Hide
Inp 1621.00 NIST
Inp 1621.00 NIST
Tboil 552.59 K Relay (1.0) Calculated Property
Tc 694.08 K Relay (1.0) Calculated Property
Tfus 275.36 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [456.62; 1003.94] 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-5.62000e+00
Coefficient B2.04066e+00
Coefficient C-1.36360e-03
Coefficient D3.32500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 456.62 J/mol×K 273.00 Calculated Property
Cp,gas 560.38 J/mol×K 353.78 Calculated Property
Cp,gas 650.95 J/mol×K 434.56 Calculated Property
Cp,gas 729.38 J/mol×K 515.33 Calculated Property
Cp,gas 796.72 J/mol×K 596.11 Calculated Property
Cp,gas 854.03 J/mol×K 676.89 Calculated Property
Cp,gas 902.35 J/mol×K 757.67 Calculated Property
Cp,gas 942.75 J/mol×K 838.44 Calculated Property
Cp,gas 976.26 J/mol×K 919.22 Calculated Property
Cp,gas 1003.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl undecyl ester. Diethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, pentadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, eicosyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester. Diethylmalonic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester.

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester.

Sources

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