- InChI
- InChI=1S/C14H27N3O3Si2/c1-11(18)16-13(14(19)20-22(5,6)7)8-12-9-17(10-15-12)21(2,3)4/h9-10,13H,8H2,1-7H3,(H,16,18)
- InChI Key
- CYRMTJAGQABXKW-UHFFFAOYSA-N
- Formula
- C14H27N3O3Si2
- SMILES
-
CC(=O)NC(Cc1cn([Si](C)(C)C)cn1
)C(=O)O[Si](C)(C)C - Molecular Weight1
- 341.55
- 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 | 0.7306 | Relay (... Calculated Property | |
| ΔfG° | -48.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -751.60 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -2.32 | Relay (... Calculated Property | |
| logPoct/wat | 1.991 | Crippen Calculated Property | |
| Pc | 1134.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1809.00 | NIST | |
| Tboil | 581.23 | K | Relay (... Calculated Property |
| Tc | 830.04 | K | Relay (... Calculated Property |
| Tfus | 351.20 | K | Relay (... Calculated Property |
| Vc | 1.042 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetylhistamine, TMS.
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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