- InChI
- InChI=1S/C12H14F3NO/c1-7(2)5-6-16-12(17)8-3-4-9(13)11(15)10(8)14/h3-4,7H,5-6H2,1-2H3,(H,16,17)
- InChI Key
- AKYCBSIFPZAZAY-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CC(C)CCNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 245.24
- 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).
- 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° | -492.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 2.880 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | [1585.00; 1585.00] |
|
|
| Inp | 1585.00 | NIST | |
| Inp | 1585.00 | NIST | |
| Tboil | 616.99 | K | Joback Calculated Property |
| Tc | 805.61 | K | Joback Calculated Property |
| Tfus | 378.34 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.29; 510.95] | J/mol×K | [616.99; 805.61] |
|
| Cp,gas | 443.29 | J/mol×K | 616.99 | Joback Calculated Property |
| Cp,gas | 456.22 | J/mol×K | 648.43 | Joback Calculated Property |
| Cp,gas | 468.46 | J/mol×K | 679.86 | Joback Calculated Property |
| Cp,gas | 480.03 | J/mol×K | 711.30 | Joback Calculated Property |
| Cp,gas | 490.96 | J/mol×K | 742.74 | Joback Calculated Property |
| Cp,gas | 501.26 | J/mol×K | 774.17 | Joback Calculated Property |
| Cp,gas | 510.95 | J/mol×K | 805.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-(3-methylbutyl)-.
Sources
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