- InChI
- InChI=1S/C17H22O3/c1-11-5-6-16-13(3)10-19-17(16)9-12(2)8-15(7-11)20-14(4)18/h5,8,10,15H,6-7,9H2,1-4H3/b11-5+,12-8-
- InChI Key
- VIAGREYUICSQGX-SSQAHJBYSA-N
- Formula
- C17H22O3
- SMILES
-
CC(=O)OC1C=C(C)Cc2occ(C)c2CC=C
(C)C1 - Molecular Weight1
- 274.35
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.5099 | Relay (... Calculated Property | |
| ΔfG° | -54.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -413.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -3.98 | Relay (... Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 224.780 | ml/mol | McGowan Calculated Property |
| Pc | 1814.49 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1804.00 | NIST | |
| Tboil | 605.01 | K | Relay (... Calculated Property |
| Tc | 814.85 | K | Relay (... Calculated Property |
| Tfus | 323.68 | K | Relay (... Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer II.
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
- McGowan Method
- NIST Webbook
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