- InChI
- InChI=1S/C17H12F10N2O3/c1-28(12(31)14(18,19)16(22,23)24)5-4-8-7-29(11-3-2-9(30)6-10(8)11)13(32)15(20,21)17(25,26)27/h2-3,6-7,30H,4-5H2,1H3
- InChI Key
- BDESVKGIYFTGJB-UHFFFAOYSA-N
- Formula
- C17H12F10N2O3
- SMILES
-
CN(CCc1cn(C(=O)C(F)(F)C(F)(F)F
)c2ccc(O)cc12)C(=O)C(F)(F)C(F) (F)F - Molecular Weight1
- 482.27
- 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 | 0.9416 | Relay (1.0) Calculated Property | |
| ΔfG° | -1866.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2491.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.383 | Crippen Calculated Property | |
| McVol | 258.140 | ml/mol | McGowan Calculated Property |
| Pc | 1379.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2029.00 | NIST | |
| Tboil | 635.92 | K | Relay (1.0) Calculated Property |
| Tc | 854.43 | K | Relay (1.0) Calculated Property |
| Tfus | 387.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxytryptamine, methyl, 2-PFP.
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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