- InChI
- InChI=1S/C13H21NO2Si/c1-10(14-17(2,3)4)7-11-5-6-12-13(8-11)16-9-15-12/h5-6,8,10,14H,7,9H2,1-4H3
- InChI Key
- NWGNRXLVLAGOJN-UHFFFAOYSA-N
- Formula
- C13H21NO2Si
- SMILES
-
CC(Cc1ccc2c(c1)OCO2)N[Si](C)(C
)C - Molecular Weight1
- 251.40
- Other Names
-
- 3,4-Methylenedioxyamphetamine, tms derivative
- 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 | 0.5892 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -391.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| Pc | 1610.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1647.40; 1647.40] |
|
|
| Inp | 1647.40 | NIST | |
| Inp | 1647.40 | NIST | |
| Tboil | 567.36 | K | Relay (1.0) Calculated Property |
| Tc | 789.81 | K | Relay (1.0) Calculated Property |
| Tfus | 320.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (.+/-.)-3,4-Methylenedioxyamphetamine, N-trimethylsilyl-.
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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