- InChI
- InChI=1S/C18H30O3Si/c1-13(2)10-18(21-22(4,5)6)11-14(3)9-16(18)17(19)15-7-8-20-12-15/h7-8,12-14,16H,9-11H2,1-6H3/t14-,16-,18-/m0/s1
- InChI Key
- ZCCISJKRESPRHP-ZVZYQTTQSA-N
- Formula
- C18H30O3Si
- SMILES
-
CC(C)CC1(O[Si](C)(C)C)CC(C)CC1
C(=O)c1ccoc1 - Molecular Weight1
- 322.51
- 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 | 0.5940 | Relay (... Calculated Property | |
| ΔfG° | -132.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -652.93 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -4.17 | Relay (... Calculated Property | |
| logPoct/wat | 5.145 | Crippen Calculated Property | |
| Pc | 1075.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1779.00 | NIST | |
| Tboil | 600.33 | K | Relay (... Calculated Property |
| Tc | 809.57 | K | Relay (... Calculated Property |
| Tfus | 299.42 | K | Relay (... Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Redbank ketol, 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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