![[13C]GA29 methyl ester TMS ether](/cid/55-529-4/13C-GA29-methyl-ester-TMS-ether.png "[13C]GA29 methyl ester TMS ether")
- InChI
- InChI=1S/C26H42O6Si2/c1-16-12-24-15-25(16,32-34(7,8)9)11-10-18(24)26-14-17(31-33(4,5)6)13-23(2,22(28)30-26)20(26)19(24)21(27)29-3/h17-20H,1,10-15H2,2-9H3/t17-,18-,19-,20-,23-,24+,25+,26-/m0/s1
- InChI Key
- AINOJINHOWCGRJ-WGTPPGOWSA-N
- Formula
- C26H42O6Si2
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)CCC2C
12CC(O[Si](C)(C)C)CC(C)(C(=O)O 1)C2C3C(=O)OC - Molecular Weight1
- 506.78
- Other Names
-
- [2H2]GA29, MeTMS
- 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 | 0.6905 | Relay (... Calculated Property | |
| ΔfG° | -399.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1253.69 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| Pc | 183.98 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2680.00; 2720.00] |
|
|
| Inp | 2682.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2688.00 | NIST | |
| Inp | 2688.00 | NIST | |
| Inp | 2680.00 | NIST | |
| Inp | 2680.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2682.00 | NIST | |
| Tboil | 685.75 | K | Relay (... Calculated Property |
| Tc | 973.75 | K | Relay (... Calculated Property |
| Tfus | 368.14 | K | Relay (... Calculated Property |
| Vc | 1.524 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to [13C]GA29 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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