- InChI
- InChI=1S/C19H14F10N2O5/c1-30(14(34)16(20,21)18(24,25)26)12(13(33)36-2)5-8-7-31(11-4-3-9(32)6-10(8)11)15(35)17(22,23)19(27,28)29/h3-4,6-7,12,32H,5H2,1-2H3
- InChI Key
- ZDHDCRAOTJITHN-UHFFFAOYSA-N
- Formula
- C19H14F10N2O5
- SMILES
-
COC(=O)C(Cc1cn(C(=O)C(F)(F)C(F
)(F)F)c2ccc(O)cc12)N(C)C(=O)C( F)(F)C(F)(F)F - Molecular Weight1
- 540.31
- 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 | 0.9951 | Relay (1.0) Calculated Property | |
| ΔfG° | -2054.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2823.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.925 | Crippen Calculated Property | |
| McVol | 293.760 | ml/mol | McGowan Calculated Property |
| Pc | 1145.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2161.00 | NIST | |
| Tboil | 654.26 | K | Relay (1.0) Calculated Property |
| Tc | 886.14 | K | Relay (1.0) Calculated Property |
| Tfus | 387.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxytryptophan, 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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