- InChI
- InChI=1S/C16H32O2Si/c1-13(2)10-9-11-14(3)12-15(17)18-19(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3
- InChI Key
- PAYDULIHYPMYID-UHFFFAOYSA-N
- Formula
- C16H32O2Si
- SMILES
-
CC(C)=CCCC(C)CC(=O)O[Si](C)(C)
C(C)(C)C - Molecular Weight1
- 284.51
- Other Names
-
- (S)-(-)-citronellic acid, 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 | 0.5957 | Relay (... Calculated Property | |
| ΔfG° | -126.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -715.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 65.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -4.46 | Relay (... Calculated Property | |
| logPoct/wat | 5.307 | Crippen Calculated Property | |
| Pc | 1429.84 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1618.70; 1618.70] |
|
|
| Inp | 1618.70 | NIST | |
| Inp | 1618.70 | NIST | |
| Tboil | 522.84 | K | Relay (... Calculated Property |
| Tc | 720.73 | K | Relay (... Calculated Property |
| Tfus | 258.79 | K | Relay (... Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-Citronellic acid, tert-butyldimethylsilyl ester.
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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