- InChI
- InChI=1S/C11H12F3NO/c1-6(2)5-15-11(16)7-3-4-8(12)10(14)9(7)13/h3-4,6H,5H2,1-2H3,(H,15,16)
- InChI Key
- NSJSIADGPWENFX-UHFFFAOYSA-N
- Formula
- C11H12F3NO
- SMILES
- CC(C)CNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 231.21
- 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 | 0.5959 | Relay (1.0) Calculated Property | |
| ΔfG° | -501.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 158.950 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Inp | [1473.00; 1473.00] |
|
|
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Tboil | 520.56 | K | Relay (1.0) Calculated Property |
| Tc | 726.14 | K | Relay (1.0) Calculated Property |
| Tfus | 326.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.62; 458.72] | J/mol×K | [594.11; 784.85] |
|
| Cp,gas | 394.62 | J/mol×K | 594.11 | Joback Calculated Property |
| Cp,gas | 406.87 | J/mol×K | 625.90 | Joback Calculated Property |
| Cp,gas | 418.47 | J/mol×K | 657.69 | Joback Calculated Property |
| Cp,gas | 429.44 | J/mol×K | 689.48 | Joback Calculated Property |
| Cp,gas | 439.79 | J/mol×K | 721.27 | Joback Calculated Property |
| Cp,gas | 449.55 | J/mol×K | 753.06 | Joback Calculated Property |
| Cp,gas | 458.72 | J/mol×K | 784.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-isobutyl-.
Sources
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