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

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

InChI
InChI=1S/C25H44BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22(30)24(5-2,6-3)23(31)33-21(20-26)25(27,28)29/h21H,4-20H2,1-3H3
InChI Key
LPYULUAJEHVLFF-UHFFFAOYSA-N
Formula
C25H44BrF3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
545.52
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° 65.42 kJ/mol Joback Calculated Property
log10WS -7.68 Relay (1.0) Calculated Property
logPoct/wat 8.296 Crippen Calculated Property
McVol 400.800 ml/mol McGowan Calculated Property
Inp [2640.00; 2640.00]   Show Hide
Inp 2640.00 NIST
Inp 2640.00 NIST
Tboil 657.89 K Relay (1.0) Calculated Property
Tfus 316.99 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 [603.85; 1359.08] 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 A6.81700e+00
Coefficient B2.60036e+00
Coefficient C-1.61440e-03
Coefficient D3.66300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 603.85 J/mol×K 273.00 Calculated Property
Cp,gas 740.93 J/mol×K 353.78 Calculated Property
Cp,gas 862.02 J/mol×K 434.56 Calculated Property
Cp,gas 968.27 J/mol×K 515.33 Calculated Property
Cp,gas 1060.84 J/mol×K 596.11 Calculated Property
Cp,gas 1140.89 J/mol×K 676.89 Calculated Property
Cp,gas 1209.58 J/mol×K 757.67 Calculated Property
Cp,gas 1268.07 J/mol×K 838.44 Calculated Property
Cp,gas 1317.52 J/mol×K 919.22 Calculated Property
Cp,gas 1359.08 J/mol×K 1000.00 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 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 pentadecyl 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.