- InChI
- InChI=1S/C16H29N5O3Si2/c1-25(2,3)22-8-12-11(24-26(4,5)6)7-13(23-12)21-10-20-14-15(17)18-9-19-16(14)21/h9-13H,7-8H2,1-6H3,(H2,17,18,19)
- InChI Key
- JJEWTFIJBUOVPH-UHFFFAOYSA-N
- Formula
- C16H29N5O3Si2
- SMILES
-
C[Si](C)(C)OCC1OC(n2cnc3c(N)nc
nc32)CC1O[Si](C)(C)C - Molecular Weight1
- 395.60
- 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 | 0.8032 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -514.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| Pc | 875.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2552.00 | NIST | |
| Tboil | 685.36 | K | Relay (1.0) Calculated Property |
| Tc | 978.91 | K | Relay (1.0) Calculated Property |
| Tfus | 395.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.186 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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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