- InChI
- InChI=1S/C9H8F3NO/c1-6-3-2-4-7(5-6)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
- InChI Key
- TYEUVUSAPIDKLP-UHFFFAOYSA-N
- Formula
- C9H8F3NO
- SMILES
- Cc1cccc(NC(=O)C(F)(F)F)c1
- Molecular Weight1
- 203.16
- CAS
- 2727-69-7
- Other Names
-
- Acetamide,2,2,2-trifluoro-N-(3-methylphenyl)-
- 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).
- IE : Ionization energy (eV).
- 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° | -493.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.00 | kJ/mol | Joback Calculated Property |
| IE | 8.73 ± 0.05 | eV | NIST |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.496 | Crippen Calculated Property | |
| McVol | 130.770 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | 1197.00 | NIST | |
| Tboil | 535.60 | K | Joback Calculated Property |
| Tc | 736.62 | K | Joback Calculated Property |
| Tfus | 336.91 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.42; 365.14] | J/mol×K | [535.60; 736.62] | 
|
| Cp,gas | 306.42 | J/mol×K | 535.60 | Joback Calculated Property |
| Cp,gas | 318.10 | J/mol×K | 569.10 | Joback Calculated Property |
| Cp,gas | 328.97 | J/mol×K | 602.61 | Joback Calculated Property |
| Cp,gas | 339.06 | J/mol×K | 636.11 | Joback Calculated Property |
| Cp,gas | 348.43 | J/mol×K | 669.61 | Joback Calculated Property |
| Cp,gas | 357.11 | J/mol×K | 703.12 | Joback Calculated Property |
| Cp,gas | 365.14 | J/mol×K | 736.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-methylphenyl)- 2,2,2-trifluoro-.
Sources
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