- InChI
- InChI=1S/C8H12BrN5Si/c1-15(2,3)14-7-5-6(10-4-11-7)13-8(9)12-5/h4H,1-3H3,(H2,10,11,12,13,14)
- InChI Key
- RJUHXTFCGGMIIW-UHFFFAOYSA-N
- Formula
- C8H12BrN5Si
- SMILES
-
C[Si](C)(C)Nc1ncnc2nc(Br)[nH]c
12 - Molecular Weight1
- 286.20
- 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 | 0.5749 | Relay (1.0) Calculated Property | |
| ΔfG° | 360.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 75.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.880 | Crippen Calculated Property | |
| Pc | 3258.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2053.00 | NIST | |
| Tboil | 600.46 | K | Relay (1.0) Calculated Property |
| Tc | 918.18 | K | Relay (1.0) Calculated Property |
| Tfus | 538.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 6-amino-8-bromo, 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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