- InChI
- InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6+/t14-,15+/m1/s1
- InChI Key
- DWGVRYKQVZGSIB-WTMFUUHESA-N
- Formula
- C15H22O2
- SMILES
-
CC1=CCCC2(C)OC2CC(=C(C)C)C(=O)
C1 - Molecular Weight1
- 234.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -20.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.570 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | 1835.00 | NIST | |
| Tboil | 683.10 | K | Joback Calculated Property |
| Tc | 927.22 | K | Joback Calculated Property |
| Tfus | 405.46 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.52; 689.35] | J/mol×K | [683.10; 927.22] | 
|
| Cp,gas | 575.52 | J/mol×K | 683.10 | Joback Calculated Property |
| Cp,gas | 596.90 | J/mol×K | 723.79 | Joback Calculated Property |
| Cp,gas | 617.12 | J/mol×K | 764.47 | Joback Calculated Property |
| Cp,gas | 636.33 | J/mol×K | 805.16 | Joback Calculated Property |
| Cp,gas | 654.67 | J/mol×K | 845.85 | Joback Calculated Property |
| Cp,gas | 672.29 | J/mol×K | 886.53 | Joback Calculated Property |
| Cp,gas | 689.35 | J/mol×K | 927.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4S,5S)-Germacrone-4,5-epoxide.
Sources
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