- InChI
- InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)19-5-2-1-3-17-4-5/h1-4H
- InChI Key
- XDJQZXYPLKZVNL-UHFFFAOYSA-N
- Formula
- C9H4F7NO2
- SMILES
-
O=C(Oc1cccnc1)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 291.12
- 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 | 0.5140 | Relay (1.0) Calculated Property | |
| ΔfG° | -1484.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1674.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.820 | Crippen Calculated Property | |
| McVol | 143.720 | ml/mol | McGowan Calculated Property |
| Pc | 2215.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [965.00; 965.00] |
|
|
| Inp | 965.00 | NIST | |
| Inp | 965.00 | NIST | |
| Tboil | 450.41 | K | Relay (1.0) Calculated Property |
| Tc | 644.73 | K | Relay (1.0) Calculated Property |
| Tfus | 259.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.526 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxypyridine, heptafluorobutyrate.
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
- McGowan Method
- NIST Webbook
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