- InChI
- InChI=1S/C12H22O6Si2/c1-19(2,3)17-11(14)8-7-9(13)16-10(8)12(15)18-20(4,5)6/h8,10H,7H2,1-6H3
- InChI Key
- IBEFDHMMOJYHKQ-UHFFFAOYSA-N
- Formula
- C12H22O6Si2
- SMILES
-
C[Si](C)(C)OC(=O)C1CC(=O)OC1C(
=O)O[Si](C)(C)C - Molecular Weight1
- 318.47
- CAS
- 65143-62-6
- Other Names
-
- Isocitric lactone acid, bis(trimethylsilyl) ester
- Isocitric acid lactone, bis(trimethylsilyl) ester
- Lactoisocitric acid, TMS
- Isocitric acid lactone, 2tms derivative
- 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 | 0.6284 | Relay (1.0) Calculated Property | |
| ΔfG° | -682.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1360.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.674 | Crippen Calculated Property | |
| Pc | 1234.60 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1710.40 | NIST | |
| Tboil | 571.44 | K | Relay (1.0) Calculated Property |
| Tc | 749.55 | K | Relay (1.0) Calculated Property |
| Tfus | 353.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isocitric lactone, bis(trimethylsilyl)-.
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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