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

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

InChI
InChI=1S/C23H40BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-30-20(28)22(5-2,6-3)21(29)31-19(18-24)23(25,26)27/h19H,4-18H2,1-3H3
InChI Key
KQPRIUMKGPMEGV-UHFFFAOYSA-N
Formula
C23H40BrF3O4
SMILES
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
517.47
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Physical Properties

Property Value Unit Source
ΔfusH° 57.07 kJ/mol Joback Calculated Property
log10WS -7.14 Relay (1.0) Calculated Property
logPoct/wat 7.516 Crippen Calculated Property
McVol 372.620 ml/mol McGowan Calculated Property
Inp [2443.00; 2443.00]   Show Hide
Inp 2443.00 NIST
Inp 2443.00 NIST
Tboil 641.70 K Relay (1.0) Calculated Property
Tfus 318.33 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 [1223.38; 1312.53] J/mol×K [935.29; 1146.26] Show Hide
Cp,gas 1223.38 J/mol×K 935.29 Joback Calculated Property
Cp,gas 1240.91 J/mol×K 970.45 Joback Calculated Property
Cp,gas 1257.25 J/mol×K 1005.61 Joback Calculated Property
Cp,gas 1272.50 J/mol×K 1040.78 Joback Calculated Property
Cp,gas 1286.74 J/mol×K 1075.94 Joback Calculated Property
Cp,gas 1300.05 J/mol×K 1111.10 Joback Calculated Property
Cp,gas 1312.53 J/mol×K 1146.26 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 undecyl 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 tridecyl ester.

Sources

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