- InChI
- InChI=1S/C12H24O4Si2/c1-10(8-11(13)15-17(2,3)4)9-12(14)16-18(5,6)7/h8H,9H2,1-7H3/b10-8+
- InChI Key
- CWJVRLKZONLMHK-CSKARUKUSA-N
- Formula
- C12H24O4Si2
- SMILES
-
CC(=CC(=O)O[Si](C)(C)C)CC(=O)O
[Si](C)(C)C - Molecular Weight1
- 288.49
- CAS
- 55887-63-3
- Other Names
-
- 3-Methylglutaconic acid, bis(trimethylsilyl) ester
- 3-Methylglutaconic acid, di(trimethylsilyl) ester
- 3-Methylglutaconic acid, di-TMS
- Bis(trimethylsilyl) 3-methyl-2-pentenedioate
- 3-Methylglutaconic acid, di-TMS ester
- 3-Methylglutaconic acid, di-TMS, #2
- 3-Methylglutaconic acid, di-TMS, #1
- 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 | 0.6307 | Relay (... Calculated Property | |
| ΔfG° | -404.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1035.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.45 | eV | Relay (... Calculated Property |
| log10WS | -2.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| Pc | 1298.79 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1441.00; 1494.00] |
|
|
| Inp | 1441.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Tboil | 517.12 | K | Relay (... Calculated Property |
| Tc | 692.42 | K | Relay (... Calculated Property |
| Tfus | 270.73 | K | Relay (... Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenedioic acid, 3-methyl-, bis(trimethylsilyl) ester.
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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