Chemical Properties of Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester

InChI
InChI=1S/C28H50BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-25(33)27(5-2,6-3)26(34)36-24(23-29)28(30,31)32/h24H,4-23H2,1-3H3
InChI Key
RETBGVOFZDGUEA-UHFFFAOYSA-N
Formula
C28H50BrF3O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
587.60
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Physical Properties

Property Value Unit Source
ΔfusH° 70.02 kJ/mol Joback Calculated Property
log10WS -8.52 Relay (1.0) Calculated Property
logPoct/wat 9.467 Crippen Calculated Property
McVol 443.070 ml/mol McGowan Calculated Property
Inp [2953.00; 2953.00]   Show Hide
Inp 2953.00 NIST
Inp 2953.00 NIST
Tboil 680.36 K Relay (1.0) Calculated Property
Tfus 329.30 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [1539.37; 1646.70] J/mol×K [1049.69; 1309.69] Show Hide
Cp,gas 1539.37 J/mol×K 1049.69 Joback Calculated Property
Cp,gas 1560.70 J/mol×K 1093.02 Joback Calculated Property
Cp,gas 1580.39 J/mol×K 1136.36 Joback Calculated Property
Cp,gas 1598.65 J/mol×K 1179.69 Joback Calculated Property
Cp,gas 1615.66 J/mol×K 1223.02 Joback Calculated Property
Cp,gas 1631.61 J/mol×K 1266.36 Joback Calculated Property
Cp,gas 1646.70 J/mol×K 1309.69 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester.

Sources

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