- InChI
- InChI=1S/C21H40OSi/c1-19(2,3)23(7,8)22-14-17-15-10-11-16-18(15)20(4,5)12-9-13-21(16,17)6/h15-18H,9-14H2,1-8H3
- InChI Key
- QPKWKJUHRAETQY-UHFFFAOYSA-N
- Formula
- C21H40OSi
- SMILES
-
CC1(C)CCCC2(C)C(CO[Si](C)(C)C(
C)(C)C)C3CCC2C31 - Molecular Weight1
- 336.63
- Other Names
-
- tert-Butyl(dimethyl)[(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)methoxy]silane
- (-)-Isolongifolol, tbdms derivative
- 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 | 0.5111 | Relay (1.0) Calculated Property | |
| ΔfG° | 93.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -521.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.497 | Crippen Calculated Property | |
| Pc | 1274.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1994.40; 1994.40] |
|
|
| Inp | 1994.40 | NIST | |
| Inp | 1994.40 | NIST | |
| Tboil | 598.50 | K | Relay (1.0) Calculated Property |
| Tc | 857.33 | K | Relay (1.0) Calculated Property |
| Tfus | 352.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Isolongifolol, tert-butyldimethylsilyl 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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