- InChI
- InChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3
- InChI Key
- IDHDZCKJOKHATB-UHFFFAOYSA-N
- Formula
- C13H28O4Si2
- SMILES
-
CC(CCC(=O)O[Si](C)(C)C)CC(=O)O
[Si](C)(C)C - Molecular Weight1
- 304.53
- CAS
- 55520-93-9
- Other Names
-
- 3-Methyladipic acid (2TMS)
- 3-Methyladipic acid, bis(trimethylsilyl)-, ester
- 3-Methyladipic acid, diTMS
- Hexanedioic acid, 3-methyl-, 1,6-bis(trimethylsilyl) ester
- 3-Methyladipic acid (tms)
- 3-Methyladipic acid, 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 | 0.6969 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1146.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.549 | Crippen Calculated Property | |
| Pc | 1107.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1522.90; 1547.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1522.90 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1522.90 | NIST | |
| Inp | 1544.00 | NIST | |
| Tboil | 513.70 | K | Relay (1.0) Calculated Property |
| Tc | 684.85 | K | Relay (1.0) Calculated Property |
| Tfus | 246.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic 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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