- InChI
- InChI=1S/C15H30O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h10-12H,1-9H3/b11-10+,13-12-
- InChI Key
- GIAYEVJAHHZGNG-MRBUWEIXSA-N
- Formula
- C15H30O5Si3
- SMILES
-
C[Si](C)(C)OC(=O)C=CC(=CC(=O)O
[Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 374.65
- Other Names
-
- (E)-3-Hydromuconic acid, TMS
- (E)-Hydroxymuconic acid, TMS
- 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 | 0.7414 | Relay (1.0) Calculated Property | |
| ΔfG° | -443.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1279.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| Pc | 764.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1506.00; 1541.00] |
|
|
| Inp | 1506.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Tboil | 543.51 | K | Relay (1.0) Calculated Property |
| Tc | 712.87 | K | Relay (1.0) Calculated Property |
| Tfus | 330.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Dihydromuconic 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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