- InChI
- InChI=1S/C20H28N2O4/c1-14(2)12-25-19(23)21-10-9-16-11-22(20(24)26-13-15(3)4)18-8-6-5-7-17(16)18/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,21,23)
- InChI Key
- XGHSMQXXJQCQNK-UHFFFAOYSA-N
- Formula
- C20H28N2O4
- SMILES
-
CC(C)COC(=O)NCCc1cn(C(=O)OCC(C
)C)c2ccccc12 - Molecular Weight1
- 360.45
- 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 | 0.9944 | Relay (... Calculated Property | |
| ΔfG° | -90.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -765.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -4.75 | Relay (... Calculated Property | |
| logPoct/wat | 4.207 | Crippen Calculated Property | |
| McVol | 288.580 | ml/mol | McGowan Calculated Property |
| Pc | 1186.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2387.00; 2387.00] |
|
|
| Inp | 2387.00 | NIST | |
| Inp | 2387.00 | NIST | |
| Tboil | 691.18 | K | Relay (... Calculated Property |
| Tc | 946.71 | K | Relay (... Calculated Property |
| Tfus | 343.03 | K | Relay (... Calculated Property |
| Vc | 1.072 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tryptamine, iso-BOC.
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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