- InChI
- InChI=1S/C13H19NO4Si/c1-13(2,3)19(4,5)18-12(15)10-7-6-8-11(9-10)14(16)17/h6-9H,1-5H3
- InChI Key
- GJZBAVMSSINKTD-UHFFFAOYSA-N
- Formula
- C13H19NO4Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
([N+](=O)[O-])c1 - Molecular Weight1
- 281.38
- Other Names
-
- Benzoic acid, 3-nitro-, tert-butyldimethylsilyl ester
- 3-Nitrobenzoic acid BDMS
- 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 | 0.6737 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -479.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.757 | Crippen Calculated Property | |
| Pc | 1925.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1860.00 | NIST | |
| Tboil | 567.95 | K | Relay (1.0) Calculated Property |
| Tc | 835.45 | K | Relay (1.0) Calculated Property |
| Tfus | 360.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nitrobenzoic acid, 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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