- InChI
- InChI=1S/C14H28O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h9,11H,7-8,10,12H2,1-6H3/b11-9+
- InChI Key
- QHCWAYVSWZJFGT-PKNBQFBNSA-N
- Formula
- C14H28O4Si2
- SMILES
-
C[Si](C)(C)OC(=O)C=CCCCCC(=O)O
[Si](C)(C)C - Molecular Weight1
- 316.54
- 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 | 0.7360 | Relay (... Calculated Property | |
| ΔfG° | -367.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1076.85 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.72 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| Pc | 1066.99 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1738.00; 1738.00] |
|
|
| Inp | 1738.00 | NIST | |
| Inp | 1738.00 | NIST | |
| Tboil | 537.01 | K | Relay (... Calculated Property |
| Tc | 710.68 | K | Relay (... Calculated Property |
| Tfus | 263.73 | K | Relay (... Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Octenedioic acid, TMS.
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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