- InChI
- InChI=1S/C25H47NO4Si2/c1-19(2)18-28-23(27)26-17-22(30-32(11,12)25(6,7)8)20-13-15-21(16-14-20)29-31(9,10)24(3,4)5/h13-16,19,22H,17-18H2,1-12H3,(H,26,27)
- InChI Key
- JWZDTDRIMOJIER-UHFFFAOYSA-N
- Formula
- C25H47NO4Si2
- SMILES
-
CC(C)COC(=O)NCC(O[Si](C)(C)C(C
)(C)C)c1ccc(O[Si](C)(C)C(C)(C) C)cc1 - Molecular Weight1
- 481.82
- 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 | 0.9178 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1107.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.516 | Crippen Calculated Property | |
| Pc | 748.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 652.76 | K | Relay (1.0) Calculated Property |
| Tc | 906.44 | K | Relay (1.0) Calculated Property |
| Tfus | 344.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Octopamine, 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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