- InChI
- InChI=1S/C19H28F3NO/c1-3-5-7-8-9-10-14-23(13-6-4-2)19(24)15-11-12-16(20)18(22)17(15)21/h11-12H,3-10,13-14H2,1-2H3
- InChI Key
- KAPIEOLHFXTNTD-UHFFFAOYSA-N
- Formula
- C19H28F3NO
- SMILES
-
CCCCCCCCN(CCCC)C(=O)c1ccc(F)c(
F)c1F - Molecular Weight1
- 343.43
- 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 | 0.8853 | Relay (1.0) Calculated Property | |
| ΔfG° | -409.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.707 | Crippen Calculated Property | |
| McVol | 271.670 | ml/mol | McGowan Calculated Property |
| Pc | 1248.61 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 613.15 | K | Relay (1.0) Calculated Property |
| Tc | 795.75 | K | Relay (1.0) Calculated Property |
| Tfus | 286.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.86; 888.98] | J/mol×K | [739.86; 917.83] |
|
| Cp,gas | 801.86 | J/mol×K | 739.86 | Joback Calculated Property |
| Cp,gas | 818.46 | J/mol×K | 769.52 | Joback Calculated Property |
| Cp,gas | 834.17 | J/mol×K | 799.18 | Joback Calculated Property |
| Cp,gas | 849.05 | J/mol×K | 828.85 | Joback Calculated Property |
| Cp,gas | 863.13 | J/mol×K | 858.51 | Joback Calculated Property |
| Cp,gas | 876.42 | J/mol×K | 888.17 | Joback Calculated Property |
| Cp,gas | 888.98 | J/mol×K | 917.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-octyl-.
Sources
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