Chemical Properties of Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C26H47F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-23(30)25(6-2,7-3)24(31)33-22(4)26(27,28)29/h22H,5-21H2,1-4H3
InChI Key
FDRSWKUWSSPWLO-UHFFFAOYSA-N
Formula
C26H47F3O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
480.65
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Physical Properties

Property Value Unit Source
ΔfH°gas -1818.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 62.72 kJ/mol Joback Calculated Property
ΔvapH° 116.52 kJ/mol Relay (1.0) Calculated Property
log10WS -7.43 Relay (1.0) Calculated Property
logPoct/wat 8.311 Crippen Calculated Property
McVol 397.390 ml/mol McGowan Calculated Property
Inp [2502.00; 2502.00]   Show Hide
Inp 2502.00 NIST
Inp 2502.00 NIST
Tboil 628.89 K Relay (1.0) Calculated Property
Tfus 303.70 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1347.26; 1448.91] J/mol×K [901.83; 1108.12] Show Hide
Cp,gas 1347.26 J/mol×K 901.83 Joback Calculated Property
Cp,gas 1367.65 J/mol×K 936.21 Joback Calculated Property
Cp,gas 1386.55 J/mol×K 970.59 Joback Calculated Property
Cp,gas 1404.04 J/mol×K 1004.98 Joback Calculated Property
Cp,gas 1420.21 J/mol×K 1039.36 Joback Calculated Property
Cp,gas 1435.14 J/mol×K 1073.74 Joback Calculated Property
Cp,gas 1448.91 J/mol×K 1108.12 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester.

Find more compounds similar to Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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