- InChI
- InChI=1S/C13H21NO4Si/c1-13(2,3)19(5,6)18-12-9-10(14(15)16)7-8-11(12)17-4/h7-9H,1-6H3
- InChI Key
- ZZKQYNAFDWPSPY-UHFFFAOYSA-N
- Formula
- C13H21NO4Si
- SMILES
-
COc1ccc([N+](=O)[O-])cc1O[Si](
C)(C)C(C)(C)C - Molecular Weight1
- 283.40
- Other Names
-
- 2-Methoxy-5-nitrophenol, tbdms derivative
- 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 | 0.6838 | Relay (... Calculated Property | |
| ΔfG° | 35.37 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -434.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -3.91 | Relay (... Calculated Property | |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| Pc | 1826.49 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1946.40; 1946.40] |
|
|
| Inp | 1946.40 | NIST | |
| Inp | 1946.40 | NIST | |
| Tboil | 574.49 | K | Relay (... Calculated Property |
| Tc | 828.47 | K | Relay (... Calculated Property |
| Tfus | 393.50 | K | Relay (... Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxy-5-nitrophenol, tert-butyldimethylsilyl 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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