- InChI
- InChI=1S/C20H38O5Si3/c1-22-19-15-16(11-13-17(19)23-26(2,3)4)12-14-18(24-27(5,6)7)20(21)25-28(8,9)10/h11,13,15,18H,12,14H2,1-10H3
- InChI Key
- HJRCFCJKFFOCLL-UHFFFAOYSA-N
- Formula
- C20H38O5Si3
- SMILES
-
COc1cc(CCC(O[Si](C)(C)C)C(=O)O
[Si](C)(C)C)ccc1O[Si](C)(C)C - Molecular Weight1
- 442.77
- 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 | 0.8694 | Relay (... Calculated Property | |
| ΔfG° | -384.19 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1205.79 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.35 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 5.440 | Crippen Calculated Property | |
| Pc | 339.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2147.00; 2147.00] |
|
|
| Inp | 2147.00 | NIST | |
| Inp | 2147.00 | NIST | |
| Tboil | 617.50 | K | Relay (... Calculated Property |
| Tc | 810.29 | K | Relay (... Calculated Property |
| Tfus | 325.03 | K | Relay (... Calculated Property |
| Vc | 1.409 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzenebutanoic acid, «alpha»,4-dihydroxy-3-methoxy, tris-TMS.
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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