- InChI
- InChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3
- InChI Key
- AJXZZQAJAMFCDW-UHFFFAOYSA-N
- Formula
- C27H51NO5Si2
- SMILES
-
COc1cc(C(CN(C)C(=O)OCC(C)C)O[S
i](C)(C)C(C)(C)C)ccc1O[Si](C)( C)C(C)(C)C - Molecular Weight1
- 525.87
- 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 | 0.9939 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1226.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.867 | Crippen Calculated Property | |
| Pc | 480.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2866.00; 2866.00] |
|
|
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Tboil | 664.71 | K | Relay (1.0) Calculated Property |
| Tc | 912.11 | K | Relay (1.0) Calculated Property |
| Tfus | 353.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.686 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metanephrine, 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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