- InChI
- InChI=1S/C16H22F3NO/c1-2-3-4-5-6-7-12-20-15(21)13-8-10-14(11-9-13)16(17,18)19/h8-11H,2-7,12H2,1H3,(H,20,21)
- InChI Key
- SIUIAKWLKXCUAX-UHFFFAOYSA-N
- Formula
- C16H22F3NO
- SMILES
-
CCCCCCCCNC(=O)c1ccc(C(F)(F)F)c
c1 - Molecular Weight1
- 301.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -434.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.58 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen Calculated Property | |
| logPoct/wat | 4.796 | Crippen Calculated Property | |
| McVol | 229.400 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | [2023.00; 2023.00] |
|
|
| Inp | 2023.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Tboil | 695.76 | K | Joback Calculated Property |
| Tc | 881.99 | K | Joback Calculated Property |
| Tfus | 415.80 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.29; 734.65] | J/mol×K | [695.76; 881.99] |
|
| Cp,gas | 655.29 | J/mol×K | 695.76 | Joback Calculated Property |
| Cp,gas | 670.64 | J/mol×K | 726.80 | Joback Calculated Property |
| Cp,gas | 685.07 | J/mol×K | 757.84 | Joback Calculated Property |
| Cp,gas | 698.64 | J/mol×K | 788.88 | Joback Calculated Property |
| Cp,gas | 711.39 | J/mol×K | 819.91 | Joback Calculated Property |
| Cp,gas | 723.38 | J/mol×K | 850.95 | Joback Calculated Property |
| Cp,gas | 734.65 | J/mol×K | 881.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-octyl-.
Sources
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