- InChI
- InChI=1S/C13H16F3NO/c1-2-3-4-5-8-17-13(18)9-6-7-10(14)12(16)11(9)15/h6-7H,2-5,8H2,1H3,(H,17,18)
- InChI Key
- USAUDSCIWVILMD-UHFFFAOYSA-N
- Formula
- C13H16F3NO
- SMILES
- CCCCCCNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 259.27
- 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° | -481.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.414 | Crippen Calculated Property | |
| McVol | 187.130 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1725.00] |
|
|
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Tboil | 640.31 | K | Joback Calculated Property |
| Tc | 824.07 | K | Joback Calculated Property |
| Tfus | 404.61 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.02; 562.71] | J/mol×K | [640.31; 824.07] |
|
| Cp,gas | 493.02 | J/mol×K | 640.31 | Joback Calculated Property |
| Cp,gas | 506.29 | J/mol×K | 670.94 | Joback Calculated Property |
| Cp,gas | 518.87 | J/mol×K | 701.56 | Joback Calculated Property |
| Cp,gas | 530.78 | J/mol×K | 732.19 | Joback Calculated Property |
| Cp,gas | 542.05 | J/mol×K | 762.82 | Joback Calculated Property |
| Cp,gas | 552.68 | J/mol×K | 793.45 | Joback Calculated Property |
| Cp,gas | 562.71 | J/mol×K | 824.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-hexyl-.
Sources
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