- InChI
- InChI=1S/C18H30O2Si/c1-12-7-9-15(17-13(2)8-10-16(12)17)11-14(3)18(19)20-21(4,5)6/h11-12,15-16H,7-10H2,1-6H3/b14-11+
- InChI Key
- HMLOHZYWWAHRQD-SDNWHVSQSA-N
- Formula
- C18H30O2Si
- SMILES
-
CC(=CC1CCC(C)C2CCC(C)=C12)C(=O
)O[Si](C)(C)C - Molecular Weight1
- 306.52
- 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 | 0.4948 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -539.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.083 | Crippen Calculated Property | |
| Pc | 1065.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1883.00; 1883.00] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Tboil | 588.29 | K | Relay (1.0) Calculated Property |
| Tc | 800.07 | K | Relay (1.0) Calculated Property |
| Tfus | 323.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.953 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Valerenic acid, 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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