Chemical Properties of 3-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-

3-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-

InChI
InChI=1S/C15H11F4NO2/c1-22-11-5-3-10(4-6-11)20-14(21)12-8-9(16)2-7-13(12)15(17,18)19/h2-8H,1H3,(H,20,21)
InChI Key
JFYNNNNNCOFEHT-UHFFFAOYSA-N
Formula
C15H11F4NO2
SMILES
COc1ccc(NC(=O)c2cc(F)ccc2C(F)(F)F)cc1
Molecular Weight1
313.25
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° 34.31 kJ/mol Joback Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 4.105 Crippen Calculated Property
McVol 199.190 ml/mol McGowan Calculated Property
Inp [2122.00; 2122.00]   Show Hide
Inp 2122.00 NIST
Inp 2122.00 NIST
Tfus 400.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [280.68; 621.18] 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 A-4.12000e+00
Coefficient B1.25052e+00
Coefficient C-8.09780e-04
Coefficient D1.84560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 280.68 J/mol×K 273.00 Calculated Property
Cp,gas 345.11 J/mol×K 353.78 Calculated Property
Cp,gas 401.53 J/mol×K 434.56 Calculated Property
Cp,gas 450.52 J/mol×K 515.33 Calculated Property
Cp,gas 492.67 J/mol×K 596.11 Calculated Property
Cp,gas 528.56 J/mol×K 676.89 Calculated Property
Cp,gas 558.77 J/mol×K 757.67 Calculated Property
Cp,gas 583.89 J/mol×K 838.44 Calculated Property
Cp,gas 604.50 J/mol×K 919.22 Calculated Property
Cp,gas 621.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzamide, N-(4-methoxyphenyl)-. 2-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(3-chlorophenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(3-chloro-4-fluorophenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(4-bromophenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(2,5-dimethoxyphenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(3-methylphenyl)-. 3-Fluoro-6-trifluoromethylbenzamide, N-(2-iodo-4-methylphenyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(2,5-dimethoxyphenyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(3-chlorophenyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(3-chloro-4-fluorophenyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(1-naphthyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(3-methylphenyl)-. 4-Fluoro-2-trifluoromethylbenzamide, N-(4-bromophenyl)-. 3-Fluoro-5-trifluoromethylbenzamide, N-(4-methoxyphenyl)-.

Find more compounds similar to 3-Fluoro-6-trifluoromethylbenzamide, N-(4-methoxyphenyl)-.

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.