- InChI
- InChI=1S/C25H44O3Si2/c1-24-13-11-17(26)15-21(24)22(27-29(3,4)5)16-18-19-9-10-23(28-30(6,7)8)25(19,2)14-12-20(18)24/h15,18-20,22-23H,9-14,16H2,1-8H3/t18?,19?,20?,22-,23+,24?,25?/m0/s1
- InChI Key
- WPOAKICUPRIZOL-FWHLWJSISA-N
- Formula
- C25H44O3Si2
- SMILES
-
CC12CCC(=O)C=C1C(O[Si](C)(C)C)
CC1C2CCC2(C)C(O[Si](C)(C)C)CCC 12 - Molecular Weight1
- 448.79
- 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 | 0.6162 | Relay (... Calculated Property | |
| ΔfG° | -63.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -843.58 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.16 | kJ/mol | Relay (... Calculated Property |
| IE | 8.91 | eV | Relay (... Calculated Property |
| log10WS | -5.26 | Relay (... Calculated Property | |
| logPoct/wat | 6.568 | Crippen Calculated Property | |
| Pc | 321.24 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 674.22 | K | Relay (... Calculated Property |
| Tc | 949.04 | K | Relay (... Calculated Property |
| Tfus | 384.51 | K | Relay (... Calculated Property |
| Vc | 1.414 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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