- InChI
- InChI=1S/C15H20F3NO/c1-3-5-6-10-19(4-2)14(20)12-8-7-9-13(11-12)15(16,17)18/h7-9,11H,3-6,10H2,1-2H3
- InChI Key
- HSGMVESYUFEISK-UHFFFAOYSA-N
- Formula
- C15H20F3NO
- SMILES
-
CCCCCN(CC)C(=O)c1cccc(C(F)(F)F
)c1 - 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 | 0.6791 | Relay (1.0) Calculated Property | |
| ΔfG° | -421.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 215.310 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | [1870.00; 1870.00] |
|
|
| Inp | 1870.00 | NIST | |
| Inp | 1870.00 | NIST | |
| Tboil | 574.29 | K | Relay (1.0) Calculated Property |
| Tc | 761.64 | K | Relay (1.0) Calculated Property |
| Tfus | 301.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.89; 665.58] | J/mol×K | [635.15; 819.13] |
|
| Cp,gas | 583.89 | J/mol×K | 635.15 | Joback Calculated Property |
| Cp,gas | 599.70 | J/mol×K | 665.81 | Joback Calculated Property |
| Cp,gas | 614.57 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 628.54 | J/mol×K | 727.14 | Joback Calculated Property |
| Cp,gas | 641.67 | J/mol×K | 757.80 | Joback Calculated Property |
| Cp,gas | 654.00 | J/mol×K | 788.47 | Joback Calculated Property |
| Cp,gas | 665.58 | J/mol×K | 819.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-trifluoromethyl-N-ethyl-N-pentyl-.
Sources
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