- InChI
- InChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)6(17)15-2-1-5-3-14-4-16-5/h3-4H,1-2H2,(H,14,16)(H,15,17)
- InChI Key
- QODSOJCUJPRCLK-UHFFFAOYSA-N
- Formula
- C8H8F5N3O
- SMILES
-
O=C(NCCc1c[nH]cn1)C(F)(F)C(F)(
F)F - Molecular Weight1
- 257.16
- 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 | 0.5617 | Relay (... Calculated Property | |
| ΔfG° | -881.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1144.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.30 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -1.90 | Relay (... Calculated Property | |
| logPoct/wat | 0.784 | Crippen Calculated Property | |
| McVol | 144.480 | ml/mol | McGowan Calculated Property |
| Pc | 2447.87 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1619.00 | NIST | |
| Tboil | 514.74 | K | Relay (... Calculated Property |
| Tc | 706.81 | K | Relay (... Calculated Property |
| Tfus | 364.98 | K | Relay (... Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Histamine, N'-pentafluoropropionyl-.
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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