- InChI
- InChI=1S/C13H30N4OSi3/c1-19(2,3)16-11-12(17-20(4,5)6)14-10-15-13(11)18-21(7,8)9/h10,16H,1-9H3,(H,14,15,17)
- InChI Key
- XPLVPLYVNSUPTP-UHFFFAOYSA-N
- Formula
- C13H30N4OSi3
- SMILES
-
C[Si](C)(C)Nc1ncnc(O[Si](C)(C)
C)c1N[Si](C)(C)C - Molecular Weight1
- 342.66
- 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 | 0.6995 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -475.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.184 | Crippen Calculated Property | |
| Pc | 1129.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1697.00; 1697.00] |
|
|
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Tboil | 552.02 | K | Relay (1.0) Calculated Property |
| Tc | 832.91 | K | Relay (1.0) Calculated Property |
| Tfus | 369.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.100 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 5,6-diamino-4-hydroxy, 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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