- InChI
- InChI=1S/C13H16F3NO/c1-2-3-4-8-17-12(18)10-6-5-7-11(9-10)13(14,15)16/h5-7,9H,2-4,8H2,1H3,(H,17,18)
- InChI Key
- OZGQYHZOXAWJRZ-UHFFFAOYSA-N
- Formula
- C13H16F3NO
- SMILES
- CCCCCNC(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 259.27
- 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 | 0.6578 | Relay (1.0) Calculated Property | |
| ΔfG° | -459.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.625 | Crippen Calculated Property | |
| McVol | 187.130 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Inp | [1716.00; 1716.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 554.91 | K | Relay (1.0) Calculated Property |
| Tc | 769.44 | K | Relay (1.0) Calculated Property |
| Tfus | 322.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.26; 569.88] | J/mol×K | [627.12; 817.97] |
|
| Cp,gas | 497.26 | J/mol×K | 627.12 | Joback Calculated Property |
| Cp,gas | 511.41 | J/mol×K | 658.93 | Joback Calculated Property |
| Cp,gas | 524.69 | J/mol×K | 690.74 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 722.55 | Joback Calculated Property |
| Cp,gas | 548.77 | J/mol×K | 754.36 | Joback Calculated Property |
| Cp,gas | 559.68 | J/mol×K | 786.16 | Joback Calculated Property |
| Cp,gas | 569.88 | J/mol×K | 817.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-pentyl-.
Sources
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