- InChI
- InChI=1S/C26H42F3NO/c1-3-5-7-9-11-13-17-21-30(22-18-14-12-10-8-6-4-2)25(31)23-19-15-16-20-24(23)26(27,28)29/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
- InChI Key
- PIHRUHQMJRBUDB-UHFFFAOYSA-N
- Formula
- C26H42F3NO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)c1cc
ccc1C(F)(F)F - Molecular Weight1
- 441.61
- 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 | 1.0967 | Relay (1.0) Calculated Property | |
| ΔfG° | -328.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.649 | Crippen Calculated Property | |
| McVol | 370.300 | ml/mol | McGowan Calculated Property |
| Pc | 838.70 | kPa | Joback Calculated Property |
| Inp | [2714.00; 2714.00] |
|
|
| Inp | 2714.00 | NIST | |
| Inp | 2714.00 | NIST | |
| Tboil | 671.52 | K | Relay (1.0) Calculated Property |
| Tc | 858.62 | K | Relay (1.0) Calculated Property |
| Tfus | 307.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.17; 1328.96] | J/mol×K | [886.83; 1085.75] |
|
| Cp,gas | 1226.17 | J/mol×K | 886.83 | Joback Calculated Property |
| Cp,gas | 1245.87 | J/mol×K | 919.98 | Joback Calculated Property |
| Cp,gas | 1264.42 | J/mol×K | 953.14 | Joback Calculated Property |
| Cp,gas | 1281.91 | J/mol×K | 986.29 | Joback Calculated Property |
| Cp,gas | 1298.44 | J/mol×K | 1019.45 | Joback Calculated Property |
| Cp,gas | 1314.09 | J/mol×K | 1052.60 | Joback Calculated Property |
| Cp,gas | 1328.96 | J/mol×K | 1085.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-dinonyl-2-trifluoromethyl-.
Sources
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