Chemical Properties of 3'-Trifluoromethylisobutyranilide (CAS 1939-27-1)

3'-Trifluoromethylisobutyranilide

InChI
InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChI Key
GETMKVRSDFVVHL-UHFFFAOYSA-N
Formula
C11H12F3NO
SMILES
CC(C)C(=O)Nc1cccc(C(F)(F)F)c1
Molecular Weight1
231.21
CAS
1939-27-1
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° 22.90 kJ/mol Joback Calculated Property
ΔvapH° 65.52 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -3.02 Relay (1.0) Calculated Property
logPoct/wat 3.300 Crippen Calculated Property
McVol 158.950 ml/mol McGowan Calculated Property
Tboil 508.32 K Relay (1.0) Calculated Property
Tfus 357.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [399.19; 467.05] J/mol×K [581.12; 780.61] Show Hide
Cp,gas 399.19 J/mol×K 581.12 Joback Calculated Property
Cp,gas 412.59 J/mol×K 614.37 Joback Calculated Property
Cp,gas 425.09 J/mol×K 647.62 Joback Calculated Property
Cp,gas 436.75 J/mol×K 680.86 Joback Calculated Property
Cp,gas 447.59 J/mol×K 714.11 Joback Calculated Property
Cp,gas 457.68 J/mol×K 747.36 Joback Calculated Property
Cp,gas 467.05 J/mol×K 780.61 Joback Calculated Property

Similar Compounds

3'-Trifluoromethylpropionanilide. Propanamide, N-(3-methylphenyl)-2-methyl-. FLUTAMIDE. Acetamide, N-[3-(trifluoromethyl)phenyl]-. 3'-Trifluoromethylmethacrylanilide. 3'-Trifluoromethylcyclopentanecarboxanilide. 3'-Trifluoromethyl-2,2-dimethylvaleranilide. Cyclopropanecarboxamide, N-(3-methylphenyl)-. 2,2,2-Trichloro-3'-trifluoromethylacetanilide. Butanamide, N-(3-methylphenyl)-. Cyclobutanecarboxamide, N-(3-methylphenyl)-. Glutaric acid, diamide, N,N'-di(3-methylphenyl)-. Pentanamide, N-(3-methylphenyl)-. Hexanamide, N-(3-methylphenyl)-. Propanamide, 2,2-dimethyl-N-(3-methylphenyl)-.

Find more compounds similar to 3'-Trifluoromethylisobutyranilide.

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.