- InChI
- InChI=1S/C25H52O5Si3/c1-23(2,3)31(10,11)28-20(22(27)30-33(14,15)25(7,8)9)18-16-17-19-21(26)29-32(12,13)24(4,5)6/h18H,16-17,19H2,1-15H3/b20-18-
- InChI Key
- KHPINZXMIAGANO-ZZEZOPTASA-N
- Formula
- C25H52O5Si3
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)CCCC=C
(O[Si](C)(C)C(C)(C)C)C(=O)O[Si ](C)(C)C(C)(C)C - Molecular Weight1
- 516.93
- 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 | 0.9358 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1486.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.159 | Crippen Calculated Property | |
| Pc | 759.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2144.00; 2144.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 612.29 | K | Relay (1.0) Calculated Property |
| Tc | 843.59 | K | Relay (1.0) Calculated Property |
| Tfus | 351.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.735 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ketopimelic acid, DMTBS.
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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