- InChI
- InChI=1S/C19H37N5O4Si3/c1-29(2,3)23-19-21-17-16(18(25)22-19)20-12-24(17)15-10-13(28-31(7,8)9)14(27-15)11-26-30(4,5)6/h12-15H,10-11H2,1-9H3,(H2,21,22,23,25)
- InChI Key
- AQYLDFFJJCBAGB-UHFFFAOYSA-N
- Formula
- C19H37N5O4Si3
- SMILES
-
C[Si](C)(C)Nc1nc2c(ncn2C2CC(O[
Si](C)(C)C)C(CO[Si](C)(C)C)O2) c(=O)[nH]1 - Molecular Weight1
- 483.78
- 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 | 0.9103 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -852.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.244 | Crippen Calculated Property | |
| Pc | 339.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2756.00 | NIST | |
| Tboil | 699.17 | K | Relay (1.0) Calculated Property |
| Tc | 1028.38 | K | Relay (1.0) Calculated Property |
| Tfus | 425.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.458 | 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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