- InChI
- InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
- InChI Key
- YMEXGEAJNZRQEH-UHFFFAOYSA-N
- Formula
- C11H11FN2O2
- SMILES
-
[NH3+]C(Cc1c[nH]c2cc(F)ccc12)C
(=O)[O-] - Molecular Weight1
- 222.22
- CAS
- 7730-20-3
- Other Names
-
- 6-fluoro-DL-tryptophan
- 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).
- 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 | 0.6072 | Relay (... Calculated Property | |
| ΔfG° | -55.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -439.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.37 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -2.71 | Relay (... Calculated Property | |
| logPoct/wat | -1.272 | Crippen Calculated Property | |
| McVol | 156.100 | ml/mol | McGowan Calculated Property |
| Pc | 3059.88 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 580.90 | K | Relay (... Calculated Property |
| Tc | 884.05 | K | Relay (... Calculated Property |
| Tfus | 442.09 | K | Relay (... Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tryptophan, 6-fluoro-.
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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