- InChI
- InChI=1S/C16H29NO3Si2/c1-13(18)17-12-16(20-22(5,6)7)14-8-10-15(11-9-14)19-21(2,3)4/h8-11,16H,12H2,1-7H3,(H,17,18)
- InChI Key
- NJJCPMJXPFMVDB-UHFFFAOYSA-N
- Formula
- C16H29NO3Si2
- SMILES
-
CC(=O)NCC(O[Si](C)(C)C)c1ccc(O
[Si](C)(C)C)cc1 - Molecular Weight1
- 339.58
- Other Names
-
- 1-(4-Trimethylsilyloxyphenyl)-2-trimethylsilylaminoethanol trimethylsilyl ether
- 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 | 0.7054 | Relay (... Calculated Property | |
| ΔfG° | -115.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -772.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -1.87 | Relay (... Calculated Property | |
| logPoct/wat | 3.929 | Crippen Calculated Property | |
| Pc | 1024.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 596.15 | K | Relay (... Calculated Property |
| Tc | 810.72 | K | Relay (... Calculated Property |
| Tfus | 341.24 | K | Relay (... Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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