- InChI
- InChI=1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+
- InChI Key
- ODMUHAHUBCUABS-AATRIKPKSA-N
- Formula
- C13H20O2
- SMILES
- CC(=O)C=CC1C(C)(C)CCC2OC21C
- Molecular Weight1
- 208.30
- Other Names
-
- «alpha»-Ionone epoxide (Isomer 1)
- «alpha»-Ionone epoxide (Isomer 2)
- «alpha»-Ionone epoxide (Isomer 1)
- «alpha»-Ionone epoxide (Isomer 2)
- 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.
- I : 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° | 6.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.725 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | 1488.00 | NIST | |
| I | 2133.00 | NIST | |
| Tboil | 590.71 | K | Joback Calculated Property |
| Tc | 812.55 | K | Joback Calculated Property |
| Tfus | 379.37 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.18; 571.91] | J/mol×K | [590.71; 812.55] | 
|
| Cp,gas | 474.18 | J/mol×K | 590.71 | Joback Calculated Property |
| Cp,gas | 492.47 | J/mol×K | 627.68 | Joback Calculated Property |
| Cp,gas | 509.60 | J/mol×K | 664.66 | Joback Calculated Property |
| Cp,gas | 525.85 | J/mol×K | 701.63 | Joback Calculated Property |
| Cp,gas | 541.47 | J/mol×K | 738.60 | Joback Calculated Property |
| Cp,gas | 556.73 | J/mol×K | 775.57 | Joback Calculated Property |
| Cp,gas | 571.91 | J/mol×K | 812.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Ionone, 5,6-epoxy.
Sources
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