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

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

InChI
InChI=1S/C21H36BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-28-18(26)20(5-2,6-3)19(27)29-17(16-22)21(23,24)25/h17H,4-16H2,1-3H3
InChI Key
ZPJQCJZFULVDIK-UHFFFAOYSA-N
Formula
C21H36BrF3O4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
489.41
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Physical Properties

Property Value Unit Source
ΔfusH° 51.89 kJ/mol Joback Calculated Property
log10WS -6.57 Relay (1.0) Calculated Property
logPoct/wat 6.736 Crippen Calculated Property
McVol 344.440 ml/mol McGowan Calculated Property
Inp [2242.00; 2242.00]   Show Hide
Inp 2242.00 NIST
Inp 2242.00 NIST
Tboil 624.97 K Relay (1.0) Calculated Property
Tfus 312.07 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 [1100.81; 1185.03] J/mol×K [889.53; 1089.13] Show Hide
Cp,gas 1100.81 J/mol×K 889.53 Joback Calculated Property
Cp,gas 1117.29 J/mol×K 922.80 Joback Calculated Property
Cp,gas 1132.70 J/mol×K 956.06 Joback Calculated Property
Cp,gas 1147.11 J/mol×K 989.33 Joback Calculated Property
Cp,gas 1160.59 J/mol×K 1022.60 Joback Calculated Property
Cp,gas 1173.21 J/mol×K 1055.86 Joback Calculated Property
Cp,gas 1185.03 J/mol×K 1089.13 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 octadecyl 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 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 undecyl ester.

Sources

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