- InChI
- InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
- InChI Key
- XBGXGCOLWCMVOI-UHFFFAOYSA-N
- Formula
- C8H6F3NO
- SMILES
- NC(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 189.13
- CAS
- 1801-10-1
- Other Names
-
- 3-CF3-C6H4CONH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 866.90 | kJ/mol | NIST |
| BasG | 836.00 | kJ/mol | NIST |
| ΔfG° | -524.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 1.804 | Crippen Calculated Property | |
| McVol | 116.680 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Tboil | 535.08 | K | Joback Calculated Property |
| Tc | 748.18 | K | Joback Calculated Property |
| Tfus | 356.24 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.67; 323.18] | J/mol×K | [535.08; 748.18] | 
|
| Cp,gas | 271.67 | J/mol×K | 535.08 | Joback Calculated Property |
| Cp,gas | 282.12 | J/mol×K | 570.60 | Joback Calculated Property |
| Cp,gas | 291.77 | J/mol×K | 606.11 | Joback Calculated Property |
| Cp,gas | 300.65 | J/mol×K | 641.63 | Joback Calculated Property |
| Cp,gas | 308.81 | J/mol×K | 677.15 | Joback Calculated Property |
| Cp,gas | 316.31 | J/mol×K | 712.67 | Joback Calculated Property |
| Cp,gas | 323.18 | J/mol×K | 748.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-(trifluoromethyl)benzamide.
Sources
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