- InChI
- InChI=1S/C17H21F6NO/c1-2-3-4-5-6-7-10-24-15(25)13-11-12(16(18,19)20)8-9-14(13)17(21,22)23/h8-9,11H,2-7,10H2,1H3,(H,24,25)
- InChI Key
- JOSFATBGLZJFRY-UHFFFAOYSA-N
- Formula
- C17H21F6NO
- SMILES
-
CCCCCCCCNC(=O)c1cc(C(F)(F)F)cc
c1C(F)(F)F - Molecular Weight1
- 369.35
- 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 | 0.8446 | Relay (1.0) Calculated Property | |
| ΔfG° | -1017.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1541.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.815 | Crippen Calculated Property | |
| McVol | 248.800 | ml/mol | McGowan Calculated Property |
| Pc | 1366.68 | kPa | Joback Calculated Property |
| Inp | [1850.00; 1850.00] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Tboil | 585.55 | K | Relay (1.0) Calculated Property |
| Tc | 811.91 | K | Relay (1.0) Calculated Property |
| Tfus | 359.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.51; 809.90] | J/mol×K | [718.20; 895.35] |
|
| Cp,gas | 735.51 | J/mol×K | 718.20 | Joback Calculated Property |
| Cp,gas | 749.89 | J/mol×K | 747.73 | Joback Calculated Property |
| Cp,gas | 763.40 | J/mol×K | 777.25 | Joback Calculated Property |
| Cp,gas | 776.11 | J/mol×K | 806.78 | Joback Calculated Property |
| Cp,gas | 788.06 | J/mol×K | 836.30 | Joback Calculated Property |
| Cp,gas | 799.30 | J/mol×K | 865.83 | Joback Calculated Property |
| Cp,gas | 809.90 | J/mol×K | 895.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-octyl-.
Sources
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