- InChI
- InChI=1S/C20H32O3Si/c1-13-11-12-14(18(2,3)4)16-15(13)17(21)23-24(22-16,19(5,6)7)20(8,9)10/h11-12H,1-10H3
- InChI Key
- DJNIMDVZQSILTG-UHFFFAOYSA-N
- Formula
- C20H32O3Si
- SMILES
-
Cc1ccc(C(C)(C)C)c2c1C(=O)O[Si]
(C(C)(C)C)(C(C)(C)C)O2 - Molecular Weight1
- 348.55
- 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 | 0.6797 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -738.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.884 | Crippen Calculated Property | |
| Pc | 1130.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2060.00; 2060.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Tboil | 620.20 | K | Relay (1.0) Calculated Property |
| Tc | 874.76 | K | Relay (1.0) Calculated Property |
| Tfus | 423.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-6-methyl-3-(1,1-dimethylethyl), DTBS.
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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