- InChI
- InChI=1S/C15H20F3NO/c1-2-3-4-5-6-10-19-14(20)12-8-7-9-13(11-12)15(16,17)18/h7-9,11H,2-6,10H2,1H3,(H,19,20)
- InChI Key
- SPCOMULOJZOYFX-UHFFFAOYSA-N
- Formula
- C15H20F3NO
- SMILES
-
CCCCCCCNC(=O)c1cccc(C(F)(F)F)c
1 - Molecular Weight1
- 287.32
- 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 | 0.7422 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.406 | Crippen Calculated Property | |
| McVol | 215.310 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [1911.00; 1911.00] |
|
|
| Inp | 1911.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Tboil | 580.66 | K | Relay (1.0) Calculated Property |
| Tc | 794.25 | K | Relay (1.0) Calculated Property |
| Tfus | 327.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.36; 678.70] | J/mol×K | [672.88; 860.27] |
|
| Cp,gas | 601.36 | J/mol×K | 672.88 | Joback Calculated Property |
| Cp,gas | 616.35 | J/mol×K | 704.11 | Joback Calculated Property |
| Cp,gas | 630.43 | J/mol×K | 735.34 | Joback Calculated Property |
| Cp,gas | 643.66 | J/mol×K | 766.57 | Joback Calculated Property |
| Cp,gas | 656.09 | J/mol×K | 797.81 | Joback Calculated Property |
| Cp,gas | 667.75 | J/mol×K | 829.04 | Joback Calculated Property |
| Cp,gas | 678.70 | J/mol×K | 860.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-heptyl-.
Sources
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