- InChI
- InChI=1S/C15H23NO3Si/c1-11(17)16-13-9-7-8-12(10-13)14(18)19-20(5,6)15(2,3)4/h7-10H,1-6H3,(H,16,17)
- InChI Key
- RSYMRTAFDNATCA-UHFFFAOYSA-N
- Formula
- C15H23NO3Si
- SMILES
-
CC(=O)Nc1cccc(C(=O)O[Si](C)(C)
C(C)(C)C)c1 - Molecular Weight1
- 293.43
- 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 | 0.7061 | Relay (... Calculated Property | |
| ΔfG° | -153.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -678.94 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.807 | Crippen Calculated Property | |
| Pc | 1941.73 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2199.00; 2199.00] |
|
|
| Inp | 2199.00 | NIST | |
| Inp | 2199.00 | NIST | |
| Tboil | 595.69 | K | Relay (... Calculated Property |
| Tc | 856.02 | K | Relay (... Calculated Property |
| Tfus | 383.42 | K | Relay (... Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminobenzoic acid, N-acetyl-, tert.-butyldimethylsilyl ester.
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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