- InChI
- InChI=1S/C31H56O2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-31(7)21-19-28-22-29(33-34(8,9)10)26(5)27(6)30(28)32-31/h22-25H,11-21H2,1-10H3
- InChI Key
- PQZJQAFFNUIVLK-UHFFFAOYSA-N
- Formula
- C31H56O2Si
- SMILES
-
Cc1c(O[Si](C)(C)C)cc2c(c1C)OC(
C)(CCCC(C)CCCC(C)CCCC(C)C)CC2 - Molecular Weight1
- 488.86
- CAS
- 2733-27-9
- Other Names
-
- Tocopherol-«gamma»-tms-derivative (high mass adjustment=50%)
- Tocopherol-«gamma»-tms-derivative (high mass adjustment=0%)
- (+)-.gamma.-Tocopherol, O-trimethylsilyl-
- 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 | 1.0161 | Relay (... Calculated Property | |
| ΔfG° | 25.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -873.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -8.67 | Relay (... Calculated Property | |
| logPoct/wat | 10.040 | Crippen Calculated Property | |
| Pc | 0.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2999.00; 3014.00] |
|
|
| Inp | 3014.00 | NIST | |
| Inp | 2999.00 | NIST | |
| Tboil | 696.07 | K | Relay (... Calculated Property |
| Tc | 913.69 | K | Relay (... Calculated Property |
| Tfus | 333.98 | K | Relay (... Calculated Property |
| Vc | 1.695 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tocopherol-«gamma»-tms-derivative (high mass adjustment=100%).
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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