- InChI
- InChI=1S/C32H67NO10S2Si6/c1-46(2,3)36-24-27-29(39-48(7,8)9)30(40-49(10,11)12)31(41-50(13,14)15)32(37-27)44-28(33-42-45(34,35)43-51(16,17)18)23-25-19-21-26(22-20-25)38-47(4,5)6/h19-22,27,29-32H,23-24H2,1-18H3/b33-28-
- InChI Key
- LJQFSWLBQFBCQA-MDVFONAFSA-N
- Formula
- C32H67NO10S2Si6
- SMILES
-
C[Si](C)(C)OCC1OC(SC(Cc2ccc(O[
Si](C)(C)C)cc2)=NOS(=O)(=O)O[S i](C)(C)C)C(O[Si](C)(C)C)C(O[S i](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 858.52
- 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 | 1.2474 | Relay (1.0) Calculated Property | |
| ΔfG° | -641.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2174.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.839 | Crippen Calculated Property | |
| Pc | -1288.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2942.00; 2942.00] |
|
|
| Inp | 2942.00 | NIST | |
| Inp | 2942.00 | NIST | |
| Tboil | 803.03 | K | Relay (1.0) Calculated Property |
| Tc | 1004.01 | K | Relay (1.0) Calculated Property |
| Tfus | 328.68 | K | Relay (1.0) Calculated Property |
| Vc | 2.553 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-hydroxybenzyl glucosinolate, 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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