- InChI
- InChI=1S/C16H34O6Si3/c1-12(15(18)21-24(5,6)7)13(16(19)22-25(8,9)10)11-14(17)20-23(2,3)4/h12-13H,11H2,1-10H3
- InChI Key
- ZIBWAZOBHCXEOD-UHFFFAOYSA-N
- Formula
- C16H34O6Si3
- SMILES
-
CC(C(=O)O[Si](C)(C)C)C(CC(=O)O
[Si](C)(C)C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 406.69
- 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 | 0.7662 | Relay (... Calculated Property | |
| ΔfG° | -640.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1582.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.79 | kJ/mol | Relay (... Calculated Property |
| IE | 10.04 | eV | Relay (... Calculated Property |
| log10WS | -2.89 | Relay (... Calculated Property | |
| logPoct/wat | 3.763 | Crippen Calculated Property | |
| Pc | 640.47 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1893.00; 1893.00] |
|
|
| Inp | 1893.00 | NIST | |
| Inp | 1893.00 | NIST | |
| Tboil | 531.43 | K | Relay (... Calculated Property |
| Tc | 725.79 | K | Relay (... Calculated Property |
| Tfus | 315.20 | K | Relay (... Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to METHYLCITRIC ACID (II) diTMS.
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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