- InChI
- InChI=1S/C12H20O2/c1-9(2)6-5-7-10(3)8-12(14)11(4)13/h6,8,12,14H,5,7H2,1-4H3/b10-8+/t12-/m0/s1
- InChI Key
- DPGJGJBHBQMSDM-OANVXVOSSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)C(O)C=C(C)CCC=C(C)C
- Molecular Weight1
- 196.29
- 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° | -74.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 2.629 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | 1455.00 | NIST | |
| I | 1716.00 | NIST | |
| Tboil | 627.65 | K | Joback Calculated Property |
| Tc | 812.54 | K | Joback Calculated Property |
| Tfus | 282.67 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.04; 531.38] | J/mol×K | [627.65; 812.54] | 
|
| Cp,gas | 461.04 | J/mol×K | 627.65 | Joback Calculated Property |
| Cp,gas | 474.35 | J/mol×K | 658.47 | Joback Calculated Property |
| Cp,gas | 486.96 | J/mol×K | 689.28 | Joback Calculated Property |
| Cp,gas | 498.93 | J/mol×K | 720.10 | Joback Calculated Property |
| Cp,gas | 510.30 | J/mol×K | 750.91 | Joback Calculated Property |
| Cp,gas | 521.10 | J/mol×K | 781.73 | Joback Calculated Property |
| Cp,gas | 531.38 | J/mol×K | 812.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E) -3-hydroxy-5,9-dimethyldeca-4,8-dien-2-on (R,S).
Sources
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