- InChI
- InChI=1S/C17H26O3Si/c1-11-9-10-12(2)14-13(11)15(18)20-21(19-14,16(3,4)5)17(6,7)8/h9-10H,1-8H3
- InChI Key
- UMYUCQMALOGMND-UHFFFAOYSA-N
- Formula
- C17H26O3Si
- SMILES
-
Cc1ccc(C)c2c1O[Si](C(C)(C)C)(C
(C)(C)C)OC2=O - Molecular Weight1
- 306.47
- 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 | 0.6303 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -678.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.895 | Crippen Calculated Property | |
| Pc | 1494.16 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 604.39 | K | Relay (1.0) Calculated Property |
| Tc | 853.89 | K | Relay (1.0) Calculated Property |
| Tfus | 444.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-3,6-dimethyl, 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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