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

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

InChI
InChI=1S/C22H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-30-18(28)20(5-2,6-3)19(29)31-17-21(23,24)22(25,26)27/h4-17H2,1-3H3
InChI Key
UGKKMRVCAVDCGC-UHFFFAOYSA-N
Formula
C22H37F5O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)F
Molecular Weight1
460.52
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Physical Properties

Property Value Unit Source
ΔfH°gas -2126.20 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.63 kJ/mol Joback Calculated Property
ΔvapH° 102.04 kJ/mol Relay (1.0) Calculated Property
log10WS -7.07 Relay (1.0) Calculated Property
logPoct/wat 6.998 Crippen Calculated Property
McVol 344.570 ml/mol McGowan Calculated Property
Pc 821.95 kPa Joback Calculated Property
Inp [2014.00; 2014.00]   Show Hide
Inp 2014.00 NIST
Inp 2014.00 NIST
Tboil 593.94 K Relay (1.0) Calculated Property
Tc 733.97 K Relay (1.0) Calculated Property
Tfus 289.30 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 [541.47; 1210.30] 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-9.25600e+00
Coefficient B2.42066e+00
Coefficient C-1.58120e-03
Coefficient D3.80100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 541.47 J/mol×K 273.00 Calculated Property
Cp,gas 666.05 J/mol×K 353.78 Calculated Property
Cp,gas 775.26 J/mol×K 434.56 Calculated Property
Cp,gas 870.29 J/mol×K 515.33 Calculated Property
Cp,gas 952.36 J/mol×K 596.11 Calculated Property
Cp,gas 1022.67 J/mol×K 676.89 Calculated Property
Cp,gas 1082.42 J/mol×K 757.67 Calculated Property
Cp,gas 1132.80 J/mol×K 838.44 Calculated Property
Cp,gas 1175.03 J/mol×K 919.22 Calculated Property
Cp,gas 1210.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 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, 2,2,3,3,3-pentafluoropropyl octyl 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, dodecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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