- InChI
- InChI=1S/C9H6F5NO/c1-2-15-9(16)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3,(H,15,16)
- InChI Key
- JCKMCRGUKBTZRJ-UHFFFAOYSA-N
- Formula
- C9H6F5NO
- SMILES
- CCNC(=O)c1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 239.14
- 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 | 0.5887 | Relay (... Calculated Property | |
| ΔfG° | -924.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.48 | eV | Relay (... Calculated Property |
| log10WS | -4.28 | Relay (... Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 134.310 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Inp | [1340.00; 1340.00] |
|
|
| Inp | 1340.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Tboil | 489.84 | K | Relay (... Calculated Property |
| Tc | 701.29 | K | Relay (... Calculated Property |
| Tfus | 335.70 | K | Relay (... Calculated Property |
| Vc | 0.499 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.05; 364.73] | J/mol×K | [557.29; 734.37] |
|
| Cp,gas | 317.05 | J/mol×K | 557.29 | Joback Calculated Property |
| Cp,gas | 325.97 | J/mol×K | 586.80 | Joback Calculated Property |
| Cp,gas | 334.50 | J/mol×K | 616.32 | Joback Calculated Property |
| Cp,gas | 342.64 | J/mol×K | 645.83 | Joback Calculated Property |
| Cp,gas | 350.38 | J/mol×K | 675.34 | Joback Calculated Property |
| Cp,gas | 357.75 | J/mol×K | 704.86 | Joback Calculated Property |
| Cp,gas | 364.73 | J/mol×K | 734.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-ethyl-.
Sources
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