- InChI
- InChI=1S/C13H8F5NO/c14-12(15,13(16,17)18)11(20)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,19,20)
- InChI Key
- ONHWHNOSQSZHGG-UHFFFAOYSA-N
- Formula
- C13H8F5NO
- SMILES
-
OC(=Nc1cccc2ccccc12)C(F)(F)C(F
)(F)F - Molecular Weight1
- 289.20
- CAS
- 21970-67-2
- Other Names
-
- Propionamide, 2,2,3,3,3-pentafluoro-N-1-naphthyl-
- 2,2,3,3,3-Pentafluoro-N-(1-naphthyl)propanamide
- Propanamide, N-(1-naphthyl)-2,2,3,3,3-pentafluoro-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6698 | Relay (1.0) Calculated Property | |
| ΔfG° | -865.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1081.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.625 | Crippen Calculated Property | |
| McVol | 171.210 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [1545.00; 1545.00] |
|
|
| Inp | 1545.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Tboil | 580.49 | K | Relay (1.0) Calculated Property |
| Tc | 778.53 | K | Relay (1.0) Calculated Property |
| Tfus | 366.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 2,2,3,3,3-pentafluoro-N-1-naphthalenyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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