Chemical Properties of 2-Ethylbutyric acid, 2-fluoro-3-trifluoromethylphenyl ester

2-Ethylbutyric acid, 2-fluoro-3-trifluoromethylphenyl ester

InChI
InChI=1S/C13H14F4O2/c1-3-8(4-2)12(18)19-10-7-5-6-9(11(10)14)13(15,16)17/h5-8H,3-4H2,1-2H3
InChI Key
MJVJPUSGSGAWLU-UHFFFAOYSA-N
Formula
C13H14F4O2
SMILES
CCC(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
278.24
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° 28.44 kJ/mol Joback Calculated Property
logPoct/wat 4.186 Crippen Calculated Property
McVol 184.790 ml/mol McGowan Calculated Property
Inp [1373.00; 1373.00]   Show Hide
Inp 1373.00 NIST
Inp 1373.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [473.66; 546.17] J/mol×K [585.31; 767.79] Show Hide
Cp,gas 473.66 J/mol×K 585.31 Joback Calculated Property
Cp,gas 487.68 J/mol×K 615.72 Joback Calculated Property
Cp,gas 500.90 J/mol×K 646.14 Joback Calculated Property
Cp,gas 513.32 J/mol×K 676.55 Joback Calculated Property
Cp,gas 525.00 J/mol×K 706.96 Joback Calculated Property
Cp,gas 535.93 J/mol×K 737.38 Joback Calculated Property
Cp,gas 546.17 J/mol×K 767.79 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester. Glutaric acid, di(2-fluoro-3-trifluoromethylphenyl) ester. Diethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester. Glutaric acid, 2,4,6-trichlorophenyl 2-fluoro-3-trifluoromethylphenyl ester. Glutaric acid, 3-chlorophenyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl propyl ester. Succinic acid, di(2-fluoro-3-(trifluoromethyl)phenyl) ester. Diethylmalonic acid, isobutyl 2-fluoro-3-trifluoromethylphenyl ester. Succinic acid, 2,3-dichlorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester. Succinic acid, 2,4,6-trichlorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester. Succinic acid, 2-ethylhexyl 2-fluoro-3-(trifluoromethyl)phenyl ester. Glutaric acid, 2-ethylhexyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Diethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester.

Find more compounds similar to 2-Ethylbutyric acid, 2-fluoro-3-trifluoromethylphenyl 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.