- InChI
- InChI=1S/C12H19NO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9H,1-5H3
- InChI Key
- AQPYYGDGBSMJJI-UHFFFAOYSA-N
- Formula
- C12H19NO3Si
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1ccc([N+](
=O)[O-])cc1 - Molecular Weight1
- 253.37
- Other Names
-
- 4-Nitrophenol, tert-butyldimethylsilyl ether
- 1-Dimethyl(tert-butyl)silyloxy-4-nitrobenzene
- 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 | 0.5998 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -303.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.979 | Crippen Calculated Property | |
| Pc | 2117.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1732.00; 1784.40] |
|
|
| Inp | 1784.40 | NIST | |
| Inp | 1732.00 | NIST | |
| Tboil | 561.11 | K | Relay (1.0) Calculated Property |
| Tc | 809.69 | K | Relay (1.0) Calculated Property |
| Tfus | 408.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-nitrophenol, TBDMS.
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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