- InChI
- InChI=1S/C10H13NO4Si/c1-16(2,3)15-10(12)8-4-6-9(7-5-8)11(13)14/h4-7H,1-3H3
- InChI Key
- XWDMNLMNKPTAHM-UHFFFAOYSA-N
- Formula
- C10H13NO4Si
- SMILES
-
C[Si](C)(C)OC(=O)c1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 239.30
- Other Names
-
- 4-Nitrobenzoic acid, trimethylsilyl ester
- 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 | 0.6480 | Relay (... Calculated Property | |
| ΔfG° | -38.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -447.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.46 | kJ/mol | Relay (... Calculated Property |
| IE | 9.94 | eV | Relay (... Calculated Property |
| log10WS | -3.31 | Relay (... Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| Pc | 1945.48 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1617.00 | NIST | |
| Tboil | 554.99 | K | Relay (... Calculated Property |
| Tc | 776.39 | K | Relay (... Calculated Property |
| Tfus | 351.93 | K | Relay (... Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trimethylsilyl 4-nitrobenzoate.
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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