- InChI
- InChI=1S/C20H35NO3Si/c1-16(2)15-23-19(22)21(6)14-18(17-12-10-9-11-13-17)24-25(7,8)20(3,4)5/h9-13,16,18H,14-15H2,1-8H3
- InChI Key
- VOJAVUSSRHRHKB-UHFFFAOYSA-N
- Formula
- C20H35NO3Si
- SMILES
-
CC(C)COC(=O)N(C)CC(O[Si](C)(C)
C(C)(C)C)c1ccccc1 - Molecular Weight1
- 365.58
- 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 | 0.7346 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -717.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.474 | Crippen Calculated Property | |
| Pc | 1193.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2112.00 | NIST | |
| Tboil | 606.45 | K | Relay (1.0) Calculated Property |
| Tc | 839.40 | K | Relay (1.0) Calculated Property |
| Tfus | 318.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ephedrine, N-isoBOC, O-TBDMS.
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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