- InChI
- InChI=1S/C27H44O6Si2/c1-17-14-26-15-27(17,33-35(7,8)9)13-10-18(26)25-12-11-19(32-34(4,5)6)24(2,23(29)31-16-25)21(25)20(26)22(28)30-3/h18-21H,1,10-16H2,2-9H3/t18-,19-,20+,21+,24+,25+,26-,27-/m1/s1
- InChI Key
- FGHFKLKJWQGLGR-PJEKKKTASA-N
- Formula
- C27H44O6Si2
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)CCC2C
12CCC(O[Si](C)(C)C)C(C)(C(=O)O C1)C2C3C(=O)OC - Molecular Weight1
- 520.81
- 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 | 0.6944 | Relay (... Calculated Property | |
| ΔfG° | -361.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1227.47 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -3.97 | Relay (... Calculated Property | |
| logPoct/wat | 5.306 | Crippen Calculated Property | |
| Pc | 94.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2964.00 | NIST | |
| Tboil | 701.50 | K | Relay (... Calculated Property |
| Tc | 990.92 | K | Relay (... Calculated Property |
| Tfus | 368.14 | K | Relay (... Calculated Property |
| Vc | 1.556 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2«beta»-OH GA44 methyl ester TMS ether.
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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