- InChI
- InChI=1S/C12H19NO3Si/c1-12(2,3)17(4,5)16-11-9-7-6-8-10(11)13(14)15/h6-9H,1-5H3
- InChI Key
- ZZNSCZIZGCCETO-UHFFFAOYSA-N
- Formula
- C12H19NO3Si
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1ccccc1[N+
](=O)[O-] - Molecular Weight1
- 253.37
- Other Names
-
- 2-nitrophenol, TBDMS
- 2-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 | 0.5820 | Relay (... Calculated Property | |
| ΔfG° | 132.33 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -298.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -3.90 | Relay (... Calculated Property | |
| logPoct/wat | 3.979 | Crippen Calculated Property | |
| Pc | 2093.09 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1655.80; 1655.80] |
|
|
| Inp | 1655.80 | NIST | |
| Inp | 1655.80 | NIST | |
| Tboil | 549.96 | K | Relay (... Calculated Property |
| Tc | 810.05 | K | Relay (... Calculated Property |
| Tfus | 342.78 | K | Relay (... Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-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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