- InChI
- InChI=1S/C13H15F4NO/c1-2-3-4-8-18-12(19)9-6-5-7-10(11(9)14)13(15,16)17/h5-7H,2-4,8H2,1H3,(H,18,19)
- InChI Key
- GMDLVLXWPXEKCL-UHFFFAOYSA-N
- Formula
- C13H15F4NO
- SMILES
- CCCCCNC(=O)c1cccc(C(F)(F)F)c1F
- Molecular Weight1
- 277.26
- 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° | -664.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -950.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 3.764 | Crippen Calculated Property | |
| McVol | 188.900 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [1628.00; 1628.00] |
|
|
| Inp | 1628.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Tboil | 631.37 | K | Joback Calculated Property |
| Tc | 815.64 | K | Joback Calculated Property |
| Tfus | 395.10 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.81; 573.85] | J/mol×K | [631.37; 815.64] |
|
| Cp,gas | 504.81 | J/mol×K | 631.37 | Joback Calculated Property |
| Cp,gas | 518.17 | J/mol×K | 662.08 | Joback Calculated Property |
| Cp,gas | 530.75 | J/mol×K | 692.79 | Joback Calculated Property |
| Cp,gas | 542.57 | J/mol×K | 723.50 | Joback Calculated Property |
| Cp,gas | 553.66 | J/mol×K | 754.22 | Joback Calculated Property |
| Cp,gas | 564.08 | J/mol×K | 784.93 | Joback Calculated Property |
| Cp,gas | 573.85 | J/mol×K | 815.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-trifluoromethyl-2-fluoro-N-pentyl-.
Sources
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