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

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

InChI
InChI=1S/C12H18BrF3O4/c1-4-11(5-2,9(17)19-6-3)10(18)20-8(7-13)12(14,15)16/h8H,4-7H2,1-3H3
InChI Key
SHELHCHMXZRKSG-UHFFFAOYSA-N
Formula
C12H18BrF3O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
363.17
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Physical Properties

Property Value Unit Source
ΔfusH° 31.75 kJ/mol Joback Calculated Property
IE 10.21 eV Relay (1.0) Calculated Property
logPoct/wat 3.225 Crippen Calculated Property
McVol 217.630 ml/mol McGowan Calculated Property
Inp 1405.00 NIST
Tboil 528.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 [579.88; 648.02] J/mol×K [647.67; 830.41] Show Hide
Cp,gas 579.88 J/mol×K 647.67 Joback Calculated Property
Cp,gas 593.33 J/mol×K 678.13 Joback Calculated Property
Cp,gas 605.89 J/mol×K 708.58 Joback Calculated Property
Cp,gas 617.61 J/mol×K 739.04 Joback Calculated Property
Cp,gas 628.51 J/mol×K 769.50 Joback Calculated Property
Cp,gas 638.64 J/mol×K 799.95 Joback Calculated Property
Cp,gas 648.02 J/mol×K 830.41 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl 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 tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester.

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

Sources

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