![[13C]GA8 methyl ester TMS ether](/cid/40-000-6/13C-GA8-methyl-ester-TMS-ether.png "[13C]GA8 methyl ester TMS ether")
- InChI
- InChI=1S/C29H50O7Si3/c1-18-15-27-17-28(18,36-39(10,11)12)14-13-20(27)29-16-19(34-37(4,5)6)23(35-38(7,8)9)26(2,25(31)33-29)22(29)21(27)24(30)32-3/h19-23H,1,13-17H2,2-12H3/t19-,20+,21+,22+,23-,26-,27-,28-,29+/m1/s1
- InChI Key
- URXALWQXBINWJP-QKOPFLJYSA-N
- Formula
- C29H50O7Si3
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)CCC2C
12CC(O[Si](C)(C)C)C(O[Si](C)(C )C)C(C)(C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 594.96
- Other Names
-
- [2H2]GA8, 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 | 0.7593 | Relay (... Calculated Property | |
| ΔfG° | -501.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1516.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -4.01 | Relay (... Calculated Property | |
| logPoct/wat | 5.888 | Crippen Calculated Property | |
| Pc | -280.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2816.00; 2845.00] |
|
|
| Inp | 2816.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Inp | 2843.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 706.47 | K | Relay (... Calculated Property |
| Tc | 997.24 | K | Relay (... Calculated Property |
| Tfus | 364.38 | K | Relay (... Calculated Property |
| Vc | 1.808 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to [13C]GA8 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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