- InChI
- InChI=1S/C14H15F6NO/c1-2-3-4-7-21-12(22)10-8-9(13(15,16)17)5-6-11(10)14(18,19)20/h5-6,8H,2-4,7H2,1H3,(H,21,22)
- InChI Key
- XFEQGKNTHDYBKO-UHFFFAOYSA-N
- Formula
- C14H15F6NO
- SMILES
-
CCCCCNC(=O)c1cc(C(F)(F)F)ccc1C
(F)(F)F - Molecular Weight1
- 327.27
- 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 | 0.7251 | Relay (1.0) Calculated Property | |
| ΔfG° | -1042.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1482.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.644 | Crippen Calculated Property | |
| McVol | 206.530 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 548.67 | K | Relay (1.0) Calculated Property |
| Tc | 777.91 | K | Relay (1.0) Calculated Property |
| Tfus | 357.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.13; 642.91] | J/mol×K | [649.56; 827.26] |
|
| Cp,gas | 575.13 | J/mol×K | 649.56 | Joback Calculated Property |
| Cp,gas | 588.35 | J/mol×K | 679.18 | Joback Calculated Property |
| Cp,gas | 600.74 | J/mol×K | 708.79 | Joback Calculated Property |
| Cp,gas | 612.34 | J/mol×K | 738.41 | Joback Calculated Property |
| Cp,gas | 623.20 | J/mol×K | 768.03 | Joback Calculated Property |
| Cp,gas | 633.37 | J/mol×K | 797.64 | Joback Calculated Property |
| Cp,gas | 642.91 | J/mol×K | 827.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-pentyl-.
Sources
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