- InChI
- InChI=1S/C38H76O5Si4/c1-26(17-18-27(2)36(39)43-47(14,15)16)30-19-20-31-35-32(25-34(38(30,31)4)42-46(11,12)13)37(3)22-21-29(40-44(5,6)7)23-28(37)24-33(35)41-45(8,9)10/h26-35H,17-25H2,1-16H3/t26?,27?,28-,29+,30?,31?,32?,33+,34-,35?,37?,38?/m1/s1
- InChI Key
- KSKHCXLSDLVZLY-CIEQHBNMSA-N
- Formula
- C38H76O5Si4
- SMILES
-
CC(CCC(C)C1CCC2C3C(O[Si](C)(C)
C)CC4CC(O[Si](C)(C)C)CCC4(C)C3 CC(O[Si](C)(C)C)C12C)C(=O)O[Si ](C)(C)C - Molecular Weight1
- 725.35
- 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 | 0.9406 | Relay (... Calculated Property | |
| ΔfG° | -200.75 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1651.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.71 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -7.78 | Relay (... Calculated Property | |
| logPoct/wat | 10.956 | Crippen Calculated Property | |
| Pc | -1233.86 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3480.00; 3480.00] |
|
|
| Inp | 3480.00 | NIST | |
| Inp | 3480.00 | NIST | |
| Tboil | 751.05 | K | Relay (... Calculated Property |
| Tc | 1032.52 | K | Relay (... Calculated Property |
| Tfus | 374.10 | K | Relay (... Calculated Property |
| Vc | 2.356 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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