- InChI
- InChI=1S/C20H33NOSi/c1-23(2,3)22-19-13-10-16-21(17-19)20(14-8-5-9-15-20)18-11-6-4-7-12-18/h4,6-7,11-12,19H,5,8-10,13-17H2,1-3H3
- InChI Key
- ULQUWWLYXNTRJS-UHFFFAOYSA-N
- Formula
- C20H33NOSi
- SMILES
-
C[Si](C)(C)OC1CCCN(C2(c3ccccc3
)CCCCC2)C1 - Molecular Weight1
- 331.57
- 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 | 0.5191 | Relay (... Calculated Property | |
| ΔfG° | 224.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -314.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.78 | eV | Relay (... Calculated Property |
| log10WS | -3.73 | Relay (... Calculated Property | |
| logPoct/wat | 5.162 | Crippen Calculated Property | |
| Pc | 984.41 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2352.00 | NIST | |
| Tboil | 648.38 | K | Relay (... Calculated Property |
| Tc | 860.04 | K | Relay (... Calculated Property |
| Tfus | 360.11 | K | Relay (... Calculated Property |
| Vc | 1.051 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(1-phenylcyclohexyl)-3-hydroxypiperidine (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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