- InChI
- InChI=1S/C18H26F3NO/c1-2-3-4-5-6-7-8-9-13-22-17(23)15-11-10-12-16(14-15)18(19,20)21/h10-12,14H,2-9,13H2,1H3,(H,22,23)
- InChI Key
- LPZNWGPLDSRRBP-UHFFFAOYSA-N
- Formula
- C18H26F3NO
- SMILES
-
CCCCCCCCCCNC(=O)c1cccc(C(F)(F)
F)c1 - Molecular Weight1
- 329.40
- 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 | 0.8619 | Relay (1.0) Calculated Property | |
| ΔfG° | -417.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.576 | Crippen Calculated Property | |
| McVol | 257.580 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Inp | [2207.00; 2207.00] |
|
|
| Inp | 2207.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Tboil | 612.35 | K | Relay (1.0) Calculated Property |
| Tc | 825.56 | K | Relay (1.0) Calculated Property |
| Tfus | 334.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.54; 849.53] | J/mol×K | [741.52; 926.83] |
|
| Cp,gas | 766.54 | J/mol×K | 741.52 | Joback Calculated Property |
| Cp,gas | 782.54 | J/mol×K | 772.40 | Joback Calculated Property |
| Cp,gas | 797.60 | J/mol×K | 803.29 | Joback Calculated Property |
| Cp,gas | 811.77 | J/mol×K | 834.17 | Joback Calculated Property |
| Cp,gas | 825.12 | J/mol×K | 865.06 | Joback Calculated Property |
| Cp,gas | 837.69 | J/mol×K | 895.94 | Joback Calculated Property |
| Cp,gas | 849.53 | J/mol×K | 926.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-decyl-.
Sources
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