- InChI
- InChI=1S/C25H37N3O5Si2/c1-24(2,3)34(7,8)32-22-16-13-19(27-26-18-11-14-20(15-12-18)28(30)31)17-21(22)23(29)33-35(9,10)25(4,5)6/h11-17H,1-10H3
- InChI Key
- CKDXCYJUSNKJHI-UHFFFAOYSA-N
- Formula
- C25H37N3O5Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cc(N
=Nc2ccc([N+](=O)[O-])cc2)ccc1O [Si](C)(C)C(C)(C)C - Molecular Weight1
- 515.75
- 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 | 1.0838 | Relay (... Calculated Property | |
| ΔfG° | 142.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -578.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -6.72 | Relay (... Calculated Property | |
| logPoct/wat | 8.556 | Crippen Calculated Property | |
| Pc | 925.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3384.00; 3384.00] |
|
|
| Inp | 3384.00 | NIST | |
| Inp | 3384.00 | NIST | |
| Tboil | 704.36 | K | Relay (... Calculated Property |
| Tc | 1030.87 | K | Relay (... Calculated Property |
| Tfus | 422.19 | K | Relay (... Calculated Property |
| Vc | 1.494 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Mordant Orange 1, O,O'-di(tert.-butyldimethylsilyl)-.
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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