- InChI
- InChI=1S/C13H16F3NO/c1-3-4-8-12(18)17-11-7-5-6-10(9(11)2)13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)
- InChI Key
- DGYMUJFBJOIXMY-UHFFFAOYSA-N
- Formula
- C13H16F3NO
- SMILES
- CCCCC(=O)Nc1cccc(C(F)(F)F)c1C
- Molecular Weight1
- 259.27
- CAS
- 1939-26-0
- 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).
- 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° | -469.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.143 | Crippen Calculated Property | |
| McVol | 187.130 | ml/mol | McGowan Calculated Property |
| Pc | 2056.76 | kPa | Joback Calculated Property |
| Tboil | 632.10 | K | Joback Calculated Property |
| Tc | 823.85 | K | Joback Calculated Property |
| Tfus | 394.51 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.73; 568.56] | J/mol×K | [632.10; 823.85] | 
|
| Cp,gas | 496.73 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 510.68 | J/mol×K | 664.06 | Joback Calculated Property |
| Cp,gas | 523.79 | J/mol×K | 696.02 | Joback Calculated Property |
| Cp,gas | 536.09 | J/mol×K | 727.97 | Joback Calculated Property |
| Cp,gas | 547.62 | J/mol×K | 759.93 | Joback Calculated Property |
| Cp,gas | 558.43 | J/mol×K | 791.89 | Joback Calculated Property |
| Cp,gas | 568.56 | J/mol×K | 823.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(2-methyl-3-trifluoromethyl)phenyl-.
Sources
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