- InChI
- InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(21-14)18(19)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15+,16-,17-/m1/s1
- InChI Key
- MIYOGWZXYKUMKR-YYIAUSFCSA-N
- Formula
- C18H42O6Si4
- SMILES
-
C[Si](C)(C)OCC1OC(C(=O)O[Si](C
)(C)C)C(O[Si](C)(C)C)C1O[Si](C )(C)C - Molecular Weight1
- 466.86
- 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 | 0.7044 | Relay (... Calculated Property | |
| ΔfG° | -567.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1562.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.20 | kJ/mol | Relay (... Calculated Property |
| IE | 9.63 | eV | Relay (... Calculated Property |
| log10WS | -2.74 | Relay (... Calculated Property | |
| logPoct/wat | 4.424 | Crippen Calculated Property | |
| Pc | 274.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1890.00 | NIST | |
| Tboil | 594.32 | K | Relay (... Calculated Property |
| Tc | 766.09 | K | Relay (... Calculated Property |
| Tfus | 314.31 | K | Relay (... Calculated Property |
| Vc | 1.510 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Anhydrotalonic acid, TMS.
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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