- InChI
- InChI=1S/C8H13N5Si/c1-14(2,3)13-8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H3,(H2,9,10,11,12,13)
- InChI Key
- DQWIRCLMBDDHJC-UHFFFAOYSA-N
- Formula
- C8H13N5Si
- SMILES
- C[Si](C)(C)Nc1ncnc2nc[nH]c12
- Molecular Weight1
- 207.31
- 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 | 0.5540 | Relay (1.0) Calculated Property | |
| ΔfG° | 379.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 81.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.118 | Crippen Calculated Property | |
| Pc | 3419.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1842.00 | NIST | |
| Tboil | 598.14 | K | Relay (1.0) Calculated Property |
| Tc | 885.05 | K | Relay (1.0) Calculated Property |
| Tfus | 477.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 6-amino, 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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