- InChI
- InChI=1S/C23H41NO4Si4/c1-29(2,3)24-17-18(20-16-19(13-14-21(20)24)26-30(4,5)6)15-22(27-31(7,8)9)23(25)28-32(10,11)12/h13-17H,1-12H3/b22-15-
- InChI Key
- LLCPITUOMNTHRE-JCMHNJIXSA-N
- Formula
- C23H41NO4Si4
- SMILES
-
C[Si](C)(C)OC(=O)C(=Cc1cn([Si]
(C)(C)C)c2ccc(O[Si](C)(C)C)cc1 2)O[Si](C)(C)C - Molecular Weight1
- 507.92
- 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 | 0.9518 | Relay (... Calculated Property | |
| ΔfG° | -122.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1073.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.76 | kJ/mol | Relay (... Calculated Property |
| IE | 7.81 | eV | Relay (... Calculated Property |
| log10WS | -5.42 | Relay (... Calculated Property | |
| logPoct/wat | 7.109 | Crippen Calculated Property | |
| Pc | -142.41 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 675.07 | K | Relay (... Calculated Property |
| Tc | 919.29 | K | Relay (... Calculated Property |
| Tfus | 374.01 | K | Relay (... Calculated Property |
| Vc | 1.613 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Indole-3-pyruvic acid, 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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