- InChI
- InChI=1S/C16H26N2OSi/c1-17(2)10-9-13-12-18(20(4,5)6)16-8-7-14(19-3)11-15(13)16/h7-8,11-12H,9-10H2,1-6H3
- InChI Key
- VGKTYEMLLOWRQL-UHFFFAOYSA-N
- Formula
- C16H26N2OSi
- SMILES
-
COc1ccc2c(c1)c(CCN(C)C)cn2[Si]
(C)(C)C - Molecular Weight1
- 290.48
- 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.
- 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 | 0.6942 | Relay (... Calculated Property | |
| ΔfG° | 248.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -174.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.26 | kJ/mol | Relay (... Calculated Property |
| IE | 7.52 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 3.437 | Crippen Calculated Property | |
| Pc | 1265.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2060.00 | NIST | |
| Tboil | 631.32 | K | Relay (... Calculated Property |
| Tc | 852.17 | K | Relay (... Calculated Property |
| Tfus | 364.26 | K | Relay (... Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-methoxy-N-dimethyltryptamine, TMS.
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
- NIST Webbook
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