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

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

InChI
InChI=1S/C20H34BrF3O4/c1-4-7-8-9-10-11-12-13-14-27-17(25)19(5-2,6-3)18(26)28-16(15-21)20(22,23)24/h16H,4-15H2,1-3H3
InChI Key
YSCMQYLPUACKGU-UHFFFAOYSA-N
Formula
C20H34BrF3O4
SMILES
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
475.38
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° 52.47 kJ/mol Joback Calculated Property
log10WS -6.28 Relay (1.0) Calculated Property
logPoct/wat 6.346 Crippen Calculated Property
McVol 330.350 ml/mol McGowan Calculated Property
Inp 2130.00 NIST
Tboil 616.07 K Relay (1.0) Calculated Property
Tfus 304.22 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [497.78; 1101.12] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.13620e+01
Coefficient B2.12536e+00
Coefficient C-1.34240e-03
Coefficient D3.06800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 497.78 J/mol×K 273.00 Calculated Property
Cp,gas 608.84 J/mol×K 353.78 Calculated Property
Cp,gas 706.63 J/mol×K 434.56 Calculated Property
Cp,gas 792.12 J/mol×K 515.33 Calculated Property
Cp,gas 866.28 J/mol×K 596.11 Calculated Property
Cp,gas 930.09 J/mol×K 676.89 Calculated Property
Cp,gas 984.50 J/mol×K 757.67 Calculated Property
Cp,gas 1030.50 J/mol×K 838.44 Calculated Property
Cp,gas 1069.05 J/mol×K 919.22 Calculated Property
Cp,gas 1101.12 J/mol×K 1000.00 Calculated Property

Similar Compounds

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 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 decyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.