- InChI
- InChI=1S/C19H30O3Si/c1-12(2)14-11-10-13(3)16-15(14)17(20)22-23(21-16,18(4,5)6)19(7,8)9/h10-12H,1-9H3
- InChI Key
- QUSQQWKCZPMLCZ-UHFFFAOYSA-N
- Formula
- C19H30O3Si
- SMILES
-
Cc1ccc(C(C)C)c2c1O[Si](C(C)(C)
C)(C(C)(C)C)OC2=O - Molecular Weight1
- 334.53
- 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 | 0.6683 | Relay (... Calculated Property | |
| ΔfG° | -204.71 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -721.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.58 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -5.27 | Relay (... Calculated Property | |
| logPoct/wat | 5.710 | Crippen Calculated Property | |
| Pc | 1178.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1945.00 | NIST | |
| Tboil | 612.05 | K | Relay (... Calculated Property |
| Tc | 864.43 | K | Relay (... Calculated Property |
| Tfus | 414.78 | K | Relay (... Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl), 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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