- InChI
- InChI=1S/C15H24N2OSi/c1-17(2)9-8-12-11-16-15-7-6-13(10-14(12)15)18-19(3,4)5/h6-7,10-11,16H,8-9H2,1-5H3
- InChI Key
- XXUYWQAQGMCDRE-UHFFFAOYSA-N
- Formula
- C15H24N2OSi
- SMILES
-
CN(C)CCc1c[nH]c2ccc(O[Si](C)(C
)C)cc12 - Molecular Weight1
- 276.45
- 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.
- 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 | 0.6646 | Relay (... Calculated Property | |
| ΔfG° | 198.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -202.67 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.10 | kJ/mol | Relay (... Calculated Property |
| IE | 7.66 | eV | Relay (... Calculated Property |
| log10WS | -3.03 | Relay (... Calculated Property | |
| logPoct/wat | 3.004 | Crippen Calculated Property | |
| Pc | 1527.22 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2090.00 | NIST | |
| Tboil | 628.53 | K | Relay (... Calculated Property |
| Tc | 848.97 | K | Relay (... Calculated Property |
| Tfus | 406.99 | K | Relay (... Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Bufotenin, monoTMS.
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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