- InChI
- InChI=1S/C20H21ClN4OSi/c1-27(2,3)26-13-19-24-23-18-12-22-20(14-7-5-4-6-8-14)16-11-15(21)9-10-17(16)25(18)19/h4-11H,12-13H2,1-3H3
- InChI Key
- NTTFKPLXWSKOKM-UHFFFAOYSA-N
- Formula
- C20H21ClN4OSi
- SMILES
-
C[Si](C)(C)OCc1nnc2n1-c1ccc(Cl
)cc1C(c1ccccc1)=NC2 - Molecular Weight1
- 396.94
- 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 | 0.7759 | Relay (1.0) Calculated Property | |
| ΔfG° | 415.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 149.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.623 | Crippen Calculated Property | |
| Pc | 1149.29 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3087.70; 3087.70] |
|
|
| Inp | 3087.70 | NIST | |
| Inp | 3087.70 | NIST | |
| Tboil | 742.61 | K | Relay (1.0) Calculated Property |
| Tc | 1058.12 | K | Relay (1.0) Calculated Property |
| Tfus | 451.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.091 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxyalprazolam, trimethylsilyl ether.
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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