- InChI
- InChI=1S/C22H52O8Si5/c1-25-17(19(27-32(5,6)7)21(23)29-34(11,12)13)18(26-31(2,3)4)20(28-33(8,9)10)22(24)30-35(14,15)16/h17-20H,1-16H3
- InChI Key
- BIWFCGHEFHVCHR-UHFFFAOYSA-N
- Formula
- C22H52O8Si5
- SMILES
-
COC(C(O[Si](C)(C)C)C(=O)O[Si](
C)(C)C)C(O[Si](C)(C)C)C(O[Si]( C)(C)C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 585.07
- 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 | 0.8852 | Relay (... Calculated Property | |
| ΔfG° | -809.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2067.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.69 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -2.86 | Relay (... Calculated Property | |
| logPoct/wat | 5.418 | Crippen Calculated Property | |
| Pc | -233.76 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1988.00 | NIST | |
| Tboil | 609.44 | K | Relay (... Calculated Property |
| Tc | 759.37 | K | Relay (... Calculated Property |
| Tfus | 298.01 | K | Relay (... Calculated Property |
| Vc | 1.876 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-O-Methylgularic 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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