- InChI
- InChI=1S/C18H29NO2Si/c1-16(2)8-6-9-17(3)11-13-20-22(4,5)21-15-18-10-7-12-19-14-18/h7-8,10-12,14H,6,9,13,15H2,1-5H3/b17-11-
- InChI Key
- PKFQQWWGVSLTBQ-BOPFTXTBSA-N
- Formula
- C18H29NO2Si
- SMILES
-
CC(C)=CCCC(C)=CCO[Si](C)(C)OCc
1cccnc1 - Molecular Weight1
- 319.51
- 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 | 0.6114 | Relay (... Calculated Property | |
| ΔfG° | 135.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -399.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -3.36 | Relay (... Calculated Property | |
| logPoct/wat | 5.009 | Crippen Calculated Property | |
| Pc | 1291.89 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2067.50 | NIST | |
| Tboil | 603.42 | K | Relay (... Calculated Property |
| Tc | 804.10 | K | Relay (... Calculated Property |
| Tfus | 243.90 | K | Relay (... Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Nerol, picolinyloxydimethylsilyl ether.
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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