- InChI
- InChI=1S/C15H29N5O2Si3/c1-23(2,3)19-15-18-14(21)12-13(20(15)24(4,5)6)17-11(10-16-12)22-25(7,8)9/h10H,1-9H3,(H,18,19,21)
- InChI Key
- PCVKIPRNPFUTPC-UHFFFAOYSA-N
- Formula
- C15H29N5O2Si3
- SMILES
-
C[Si](C)(C)Nc1nc(=O)c2ncc(O[Si
](C)(C)C)nc2n1[Si](C)(C)C - Molecular Weight1
- 395.68
- 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 | 0.8150 | Relay (... Calculated Property | |
| ΔfG° | 250.48 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -511.85 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.20 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -4.43 | Relay (... Calculated Property | |
| logPoct/wat | 3.330 | Crippen Calculated Property | |
| Pc | 787.22 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2131.60; 2131.60] |
|
|
| Inp | 2131.60 | NIST | |
| Inp | 2131.60 | NIST | |
| Tboil | 623.85 | K | Relay (... Calculated Property |
| Tc | 936.35 | K | Relay (... Calculated Property |
| Tfus | 455.82 | K | Relay (... Calculated Property |
| Vc | 1.212 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isoxanthopterin, tris(trimethylsilyl) derivative.
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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