- InChI
- InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
- InChI Key
- VRKVCIVKSRGSLU-UHFFFAOYSA-N
- Formula
- C8H5ClF3NO
- SMILES
- O=C(Nc1cccc(Cl)c1)C(F)(F)F
- Molecular Weight1
- 223.58
- Other Names
-
- N-(3-Chlorophenyl)-2,2,2-trifluoroacetamide
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4465 | Relay (... Calculated Property | |
| ΔfG° | -513.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.95 | eV | Relay (... Calculated Property |
| log10WS | -2.36 | Relay (... Calculated Property | |
| logPoct/wat | 2.841 | Crippen Calculated Property | |
| McVol | 128.920 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1314.00] |
|
|
| Inp | 1314.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Tboil | 497.05 | K | Relay (... Calculated Property |
| Tc | 704.99 | K | Relay (... Calculated Property |
| Tfus | 340.72 | K | Relay (... Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.67; 335.31] | J/mol×K | [550.15; 758.89] |
|
| Cp,gas | 286.67 | J/mol×K | 550.15 | Joback Calculated Property |
| Cp,gas | 296.59 | J/mol×K | 584.94 | Joback Calculated Property |
| Cp,gas | 305.72 | J/mol×K | 619.73 | Joback Calculated Property |
| Cp,gas | 314.11 | J/mol×K | 654.52 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 689.31 | Joback Calculated Property |
| Cp,gas | 328.86 | J/mol×K | 724.10 | Joback Calculated Property |
| Cp,gas | 335.31 | J/mol×K | 758.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-chlorophenyl)-2,2,2-trifluoro-.
Sources
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