- InChI
- InChI=1S/C29H59NO9S2Si5/c1-42(2,3)33-22-24-26(35-43(4,5)6)27(36-44(7,8)9)28(37-45(10,11)12)29(34-24)40-25(21-23-19-17-16-18-20-23)30-38-41(31,32)39-46(13,14)15/h16-20,24,26-29H,21-22H2,1-15H3
- InChI Key
- OZIWGMJWBKNOBG-UHFFFAOYSA-N
- Formula
- C29H59NO9S2Si5
- SMILES
-
C[Si](C)(C)OCC1OC(SC(Cc2ccccc2
)=NOS(=O)(=O)O[Si](C)(C)C)C(O[ Si](C)(C)C)C(O[Si](C)(C)C)C1O[ Si](C)(C)C - Molecular Weight1
- 770.34
- 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 | 1.1117 | Relay (1.0) Calculated Property | |
| ΔfG° | -545.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1871.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.625 | Crippen Calculated Property | |
| Pc | -798.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2700.00 | NIST | |
| Tboil | 776.36 | K | Relay (1.0) Calculated Property |
| Tc | 985.38 | K | Relay (1.0) Calculated Property |
| Tfus | 332.47 | K | Relay (1.0) Calculated Property |
| Vc | 2.260 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to benzyl 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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