- InChI
- InChI=1S/C21H50O7Si5/c1-29(2,3)24-17-21(28-33(13,14)15,20(23)27-32(10,11)12)16-18(25-30(4,5)6)19(22)26-31(7,8)9/h18H,16-17H2,1-15H3/t18-,21+/m1/s1
- InChI Key
- WNEDAUVACAQDIF-NQIIRXRSSA-N
- Formula
- C21H50O7Si5
- SMILES
-
C[Si](C)(C)OCC(CC(O[Si](C)(C)C
)C(=O)O[Si](C)(C)C)(O[Si](C)(C )C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 555.04
- 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 | 0.8861 | Relay (... Calculated Property | |
| ΔfG° | -708.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1938.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.47 | eV | Relay (... Calculated Property |
| log10WS | -2.98 | Relay (... Calculated Property | |
| logPoct/wat | 5.795 | Crippen Calculated Property | |
| Pc | -239.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1963.00 | NIST | |
| Tboil | 587.31 | K | Relay (... Calculated Property |
| Tc | 758.88 | K | Relay (... Calculated Property |
| Tfus | 292.35 | K | Relay (... Calculated Property |
| Vc | 1.830 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Deoxy-2-C-hydroxymethyl-erythro-pentaric 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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