- InChI
- InChI=1S/C15H12F3NO2/c1-21-13-8-6-12(7-9-13)19-14(20)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3,(H,19,20)
- InChI Key
- XPUFSOPGNYLKJQ-UHFFFAOYSA-N
- Formula
- C15H12F3NO2
- SMILES
-
COc1ccc(NC(=O)c2ccc(C(F)(F)F)c
c2)cc1 - Molecular Weight1
- 295.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -445.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.966 | Crippen Calculated Property | |
| McVol | 197.420 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [2139.00; 2139.00] |
|
|
| Inp | 2139.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Tboil | 726.96 | K | Joback Calculated Property |
| Tc | 946.77 | K | Joback Calculated Property |
| Tfus | 465.70 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.86; 606.36] | J/mol×K | [726.96; 946.77] |
|
| Cp,gas | 542.86 | J/mol×K | 726.96 | Joback Calculated Property |
| Cp,gas | 555.88 | J/mol×K | 763.59 | Joback Calculated Property |
| Cp,gas | 567.85 | J/mol×K | 800.23 | Joback Calculated Property |
| Cp,gas | 578.82 | J/mol×K | 836.86 | Joback Calculated Property |
| Cp,gas | 588.85 | J/mol×K | 873.50 | Joback Calculated Property |
| Cp,gas | 598.01 | J/mol×K | 910.13 | Joback Calculated Property |
| Cp,gas | 606.36 | J/mol×K | 946.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-4-trifluoromethyl-.
Sources
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