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

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

InChI
InChI=1S/C17H28BrF3O4/c1-4-7-8-9-10-11-24-14(22)16(5-2,6-3)15(23)25-13(12-18)17(19,20)21/h13H,4-12H2,1-3H3
InChI Key
PKQSHOAUWKWXEG-UHFFFAOYSA-N
Formula
C17H28BrF3O4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
433.30
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° 41.53 kJ/mol Joback Calculated Property
log10WS -5.29 Relay (1.0) Calculated Property
logPoct/wat 5.175 Crippen Calculated Property
McVol 288.080 ml/mol McGowan Calculated Property
Tboil 587.19 K Relay (1.0) Calculated Property
Tfus 300.78 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 [864.21; 940.43] J/mol×K [798.01; 985.52] Show Hide
Cp,gas 864.21 J/mol×K 798.01 Joback Calculated Property
Cp,gas 879.04 J/mol×K 829.26 Joback Calculated Property
Cp,gas 892.96 J/mol×K 860.51 Joback Calculated Property
Cp,gas 906.01 J/mol×K 891.77 Joback Calculated Property
Cp,gas 918.24 J/mol×K 923.02 Joback Calculated Property
Cp,gas 929.70 J/mol×K 954.27 Joback Calculated Property
Cp,gas 940.43 J/mol×K 985.52 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 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 heptyl 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.