- InChI
- InChI=1S/C10H10F3NO/c1-6-3-7(2)5-8(4-6)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
- InChI Key
- MWOCTDLHKWELSM-UHFFFAOYSA-N
- Formula
- C10H10F3NO
- SMILES
- Cc1cc(C)cc(NC(=O)C(F)(F)F)c1
- Molecular Weight1
- 217.19
- CAS
- 14818-53-2
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5048 | Relay (1.0) Calculated Property | |
| ΔfG° | -494.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 ± 0.05 | eV | NIST |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.804 | Crippen Calculated Property | |
| McVol | 144.860 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 500.46 | K | Relay (1.0) Calculated Property |
| Tc | 700.82 | K | Relay (1.0) Calculated Property |
| Tfus | 363.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.29; 413.03] | J/mol×K | [563.46; 762.67] | 
|
| Cp,gas | 351.29 | J/mol×K | 563.46 | Joback Calculated Property |
| Cp,gas | 363.42 | J/mol×K | 596.66 | Joback Calculated Property |
| Cp,gas | 374.77 | J/mol×K | 629.86 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 663.07 | Joback Calculated Property |
| Cp,gas | 395.25 | J/mol×K | 696.27 | Joback Calculated Property |
| Cp,gas | 404.46 | J/mol×K | 729.47 | Joback Calculated Property |
| Cp,gas | 413.03 | J/mol×K | 762.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide,N-(3,5-dimethylphenyl)-2,2,2-trifluoro-.
Sources
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