Chemical Properties of Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester

Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester

InChI
InChI=1S/C13H16Br2F6O4/c1-3-11(4-2,9(22)24-7(5-14)12(16,17)18)10(23)25-8(6-15)13(19,20)21/h7-8H,3-6H2,1-2H3
InChI Key
YTKUZSDIEUGPBV-UHFFFAOYSA-N
Formula
C13H16Br2F6O4
SMILES
CCC(CC)(C(=O)OC(CBr)C(F)(F)F)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
510.06
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 37.93 kJ/mol Joback Calculated Property
logPoct/wat 4.531 Crippen Calculated Property
McVol 254.530 ml/mol McGowan Calculated Property
Inp 1561.00 NIST
Tboil 549.79 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, Ionization energy, 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 [698.84; 754.58] J/mol×K [730.85; 915.62] Show Hide
Cp,gas 698.84 J/mol×K 730.85 Joback Calculated Property
Cp,gas 710.14 J/mol×K 761.65 Joback Calculated Property
Cp,gas 720.56 J/mol×K 792.44 Joback Calculated Property
Cp,gas 730.15 J/mol×K 823.24 Joback Calculated Property
Cp,gas 738.98 J/mol×K 854.03 Joback Calculated Property
Cp,gas 747.10 J/mol×K 884.83 Joback Calculated Property
Cp,gas 754.58 J/mol×K 915.62 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl 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, monochloride, 1-bromo-3,3,3-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.