- InChI
- InChI=1S/C20H20Cl2N4OSi/c1-28(2,3)27-12-19-25-24-18-11-23-20(14-6-4-5-7-16(14)22)15-10-13(21)8-9-17(15)26(18)19/h4-10H,11-12H2,1-3H3
- InChI Key
- DEZQTJJZLGBSEX-UHFFFAOYSA-N
- Formula
- C20H20Cl2N4OSi
- SMILES
-
C[Si](C)(C)OCc1nnc2n1-c1ccc(Cl
)cc1C(c1ccccc1Cl)=NC2 - Molecular Weight1
- 431.39
- 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 | 0.8079 | Relay (1.0) Calculated Property | |
| ΔfG° | 383.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 119.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.277 | Crippen Calculated Property | |
| Pc | 1059.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3203.40; 3203.40] |
|
|
| Inp | 3203.40 | NIST | |
| Inp | 3203.40 | NIST | |
| Tboil | 748.75 | K | Relay (1.0) Calculated Property |
| Tc | 1076.48 | K | Relay (1.0) Calculated Property |
| Tfus | 441.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxytriazolam, 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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