- InChI
- InChI=1S/C20H30F3NO/c1-4-7-9-16(6-3)15-24(14-8-5-2)19(25)17-10-12-18(13-11-17)20(21,22)23/h10-13,16H,4-9,14-15H2,1-3H3
- InChI Key
- NBSJRCSDEMTBFG-UHFFFAOYSA-N
- Formula
- C20H30F3NO
- SMILES
-
CCCCC(CC)CN(CCCC)C(=O)c1ccc(C(
F)(F)F)cc1 - Molecular Weight1
- 357.45
- 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 | 0.8204 | Relay (1.0) Calculated Property | |
| ΔfG° | -381.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -978.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.164 | Crippen Calculated Property | |
| McVol | 285.760 | ml/mol | McGowan Calculated Property |
| Pc | 1214.90 | kPa | Joback Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 626.10 | K | Relay (1.0) Calculated Property |
| Tc | 802.95 | K | Relay (1.0) Calculated Property |
| Tfus | 301.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.035 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.43; 953.53] | J/mol×K | [749.11; 932.56] |
|
| Cp,gas | 862.43 | J/mol×K | 749.11 | Joback Calculated Property |
| Cp,gas | 879.95 | J/mol×K | 779.69 | Joback Calculated Property |
| Cp,gas | 896.46 | J/mol×K | 810.26 | Joback Calculated Property |
| Cp,gas | 912.01 | J/mol×K | 840.84 | Joback Calculated Property |
| Cp,gas | 926.67 | J/mol×K | 871.41 | Joback Calculated Property |
| Cp,gas | 940.49 | J/mol×K | 901.99 | Joback Calculated Property |
| Cp,gas | 953.53 | J/mol×K | 932.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-butyl-N-2-ethylhexyl-.
Sources
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