- InChI
- InChI=1S/C13H28O4Si2/c1-18(2,3)16-12(14)10-8-7-9-11-13(15)17-19(4,5)6/h7-11H2,1-6H3
- InChI Key
- VOLKRTUGJXKFMI-UHFFFAOYSA-N
- Formula
- C13H28O4Si2
- SMILES
-
C[Si](C)(C)OC(=O)CCCCCC(=O)O[S
i](C)(C)C - Molecular Weight1
- 304.53
- CAS
- 55530-58-0
- Other Names
-
- Pimelic acid, bis(trimethylsilyl)-, ester
- Pimelic acid (2TMS)
- Heptanedioic acid, bis-TMS ester
- Pimelic acid, bis-TMS
- Pimelic acid, diTMS
- Heptanedioic acid, 1,7-bis(trimethylsilyl) ester
- Pimelic acid (tms)
- Heptanedioic acid, TMS ester
- Pimelic 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 | 0.7537 | Relay (... Calculated Property | |
| ΔfG° | -427.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1144.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.28 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -2.96 | Relay (... Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| Pc | 1108.84 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1591.00; 1612.00] |
|
|
| Inp | 1592.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1594.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Tboil | 529.71 | K | Relay (... Calculated Property |
| Tc | 694.96 | K | Relay (... Calculated Property |
| Tfus | 285.19 | K | Relay (... Calculated Property |
| Vc | 1.025 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Heptanedioic acid, 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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