- InChI
- InChI=1S/C27H44O6Si2/c1-16-13-27-14-17(16)18(32-34(4,5)6)12-19(27)26-11-10-20(33-35(7,8)9)25(2,24(29)31-15-26)22(26)21(27)23(28)30-3/h17-22H,1,10-15H2,2-9H3/t17?,18-,19-,20-,21+,22+,25+,26+,27-/m1/s1
- InChI Key
- OARUYXYOZCIIMC-OGZOHQNYSA-N
- Formula
- C27H44O6Si2
- SMILES
-
C=C1CC23CC1C(O[Si](C)(C)C)CC2C
12CCC(O[Si](C)(C)C)C(C)(C(=O)O C1)C2C3C(=O)OC - Molecular Weight1
- 520.81
- Other Names
-
- 12-«alpha»-Hydroxy-GA37, methyl ester, TMS
- 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 | 0.6872 | Relay (1.0) Calculated Property | |
| ΔfG° | -336.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1235.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| Pc | 36.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2953.00 | NIST | |
| Tboil | 705.34 | K | Relay (1.0) Calculated Property |
| Tc | 992.76 | K | Relay (1.0) Calculated Property |
| Tfus | 368.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.542 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 12«alpha»-hydroxy-GA37 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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