- InChI
- InChI=1S/C12H22N4O2Si2/c1-15-11(17)9-10(14-12(15)18-20(5,6)7)16(8-13-9)19(2,3)4/h8H,1-7H3
- InChI Key
- OIMZLKYFVAVESI-UHFFFAOYSA-N
- Formula
- C12H22N4O2Si2
- SMILES
-
Cn1c(O[Si](C)(C)C)nc2c(ncn2[Si
](C)(C)C)c1=O - Molecular Weight1
- 310.50
- 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 | 0.6950 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -437.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.027 | Crippen Calculated Property | |
| Pc | 1302.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1919.00 | NIST | |
| Tboil | 592.95 | K | Relay (1.0) Calculated Property |
| Tc | 876.32 | K | Relay (1.0) Calculated Property |
| Tfus | 425.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylxanthine, 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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