- InChI
- InChI=1S/C16H17ClO2Si/c1-20(2,12-13-6-4-3-5-7-13)19-16(18)14-8-10-15(17)11-9-14/h3-11H,12H2,1-2H3
- InChI Key
- XJFBXPJEIWXAMC-UHFFFAOYSA-N
- Formula
- C16H17ClO2Si
- SMILES
-
C[Si](C)(Cc1ccccc1)OC(=O)c1ccc
(Cl)cc1 - Molecular Weight1
- 304.84
- 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 | 0.6215 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -355.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.484 | Crippen Calculated Property | |
| Pc | 1733.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2083.00; 2083.00] |
|
|
| Inp | 2083.00 | NIST | |
| Inp | 2083.00 | NIST | |
| Tboil | 624.39 | K | Relay (1.0) Calculated Property |
| Tc | 855.61 | K | Relay (1.0) Calculated Property |
| Tfus | 320.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, benzyldimethylsilyl 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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