- InChI
- InChI=1S/C12H14F3NO/c1-2-3-4-7-16-12(17)8-5-6-9(13)11(15)10(8)14/h5-6H,2-4,7H2,1H3,(H,16,17)
- InChI Key
- IQJCNZVUXLLPNS-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CCCCCNC(=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° | -490.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 3.024 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1622.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 617.43 | K | Joback Calculated Property |
| Tc | 802.79 | K | Joback Calculated Property |
| Tfus | 393.34 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.84; 509.35] | J/mol×K | [617.43; 802.79] |
|
| Cp,gas | 442.84 | J/mol×K | 617.43 | Joback Calculated Property |
| Cp,gas | 455.50 | J/mol×K | 648.32 | Joback Calculated Property |
| Cp,gas | 467.51 | J/mol×K | 679.22 | Joback Calculated Property |
| Cp,gas | 478.88 | J/mol×K | 710.11 | Joback Calculated Property |
| Cp,gas | 489.63 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 499.78 | J/mol×K | 771.89 | Joback Calculated Property |
| Cp,gas | 509.35 | J/mol×K | 802.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-pentyl-.
Sources
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