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

2-Ethylbutyric acid, 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI
InChI=1S/C9H14BrF3O2/c1-3-6(4-2)8(14)15-7(5-10)9(11,12)13/h6-7H,3-5H2,1-2H3
InChI Key
UABXDKCZFCHYFO-UHFFFAOYSA-N
Formula
C9H14BrF3O2
SMILES
CCC(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
291.11
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° 23.50 kJ/mol Joback Calculated Property
logPoct/wat 3.292 Crippen Calculated Property
McVol 167.920 ml/mol McGowan Calculated Property
Inp 1056.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [249.24; 524.58] 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 A1.87430e+01
Coefficient B1.01524e+00
Coefficient C-6.70000e-04
Coefficient D1.60600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 249.24 J/mol×K 273.00 Calculated Property
Cp,gas 301.17 J/mol×K 353.78 Calculated Property
Cp,gas 346.58 J/mol×K 434.56 Calculated Property
Cp,gas 385.98 J/mol×K 515.33 Calculated Property
Cp,gas 419.87 J/mol×K 596.11 Calculated Property
Cp,gas 448.78 J/mol×K 676.89 Calculated Property
Cp,gas 473.19 J/mol×K 757.67 Calculated Property
Cp,gas 493.62 J/mol×K 838.44 Calculated Property
Cp,gas 510.58 J/mol×K 919.22 Calculated Property
Cp,gas 524.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-ethylhexyl 1-bromo-3,3,3-trifluoroprop-2-yl ester. Succinic acid, cyclohexylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester. Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. 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 undecyl 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 nonyl ester.

Find more compounds similar to 2-Ethylbutyric acid, 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.
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.