- InChI
- InChI=1S/C25H38O6Si/c1-15-12-25-13-16(15)8-9-17(25)24(14-26)11-10-18(31-32(5,6)7)23(2,22(28)30-4)20(24)19(25)21(27)29-3/h14,16-20H,1,8-13H2,2-7H3/t16-,17?,18+,19-,20?,23-,24-,25+/m0/s1
- InChI Key
- ZHPKKVOJDKMYED-HOXWFPEYSA-N
- Formula
- C25H38O6Si
- SMILES
-
C=C1CC23CC1CCC2C1(C=O)CCC(O[Si
](C)(C)C)C(C)(C(=O)OC)C1C3C(=O )OC - Molecular Weight1
- 462.65
- Other Names
-
- GA36 methyl ester TMS ether
- 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 | 0.6558 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1097.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| Pc | 507.36 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2578.00; 2619.00] |
|
|
| Inp | 2595.00 | NIST | |
| Inp | 2582.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2606.00 | NIST | |
| Inp | 2619.00 | NIST | |
| Inp | 2619.00 | NIST | |
| Inp | 2595.00 | NIST | |
| Tboil | 683.31 | K | Relay (1.0) Calculated Property |
| Tc | 968.17 | K | Relay (1.0) Calculated Property |
| Tfus | 376.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to GA36 MeTMS.
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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