- InChI
- InChI=1S/C9H8F3NO/c1-2-13-9(14)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3,(H,13,14)
- InChI Key
- XAEIMVWLTDXKIM-UHFFFAOYSA-N
- Formula
- C9H8F3NO
- SMILES
- CCNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 203.16
- 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 | 0.5502 | Relay (1.0) Calculated Property | |
| ΔfG° | -515.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.854 | Crippen Calculated Property | |
| McVol | 130.770 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1331.00; 1331.00] |
|
|
| Inp | 1331.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Tboil | 504.47 | K | Relay (1.0) Calculated Property |
| Tc | 714.34 | K | Relay (1.0) Calculated Property |
| Tfus | 316.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.86; 356.13] | J/mol×K | [548.79; 740.48] |
|
| Cp,gas | 301.86 | J/mol×K | 548.79 | Joback Calculated Property |
| Cp,gas | 312.20 | J/mol×K | 580.74 | Joback Calculated Property |
| Cp,gas | 322.00 | J/mol×K | 612.69 | Joback Calculated Property |
| Cp,gas | 331.29 | J/mol×K | 644.64 | Joback Calculated Property |
| Cp,gas | 340.06 | J/mol×K | 676.58 | Joback Calculated Property |
| Cp,gas | 348.34 | J/mol×K | 708.53 | Joback Calculated Property |
| Cp,gas | 356.13 | J/mol×K | 740.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-ethyl-.
Sources
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