- InChI
- InChI=1S/C12H18O3/c1-8(2)11(7-15-10(5)13)6-12(14)9(3)4/h11H,1,3,6-7H2,2,4-5H3
- InChI Key
- YIMBTHHLSRBHFF-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
- C=C(C)C(=O)CC(COC(C)=O)C(=C)C
- Molecular Weight1
- 210.27
- 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° | -156.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.277 | Crippen Calculated Property | |
| McVol | 180.350 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | 1388.00 | NIST | |
| I | 1991.00 | NIST | |
| Tboil | 596.80 | K | Joback Calculated Property |
| Tc | 789.73 | K | Joback Calculated Property |
| Tfus | 300.65 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.47; 521.69] | J/mol×K | [596.80; 789.73] | 
|
| Cp,gas | 446.47 | J/mol×K | 596.80 | Joback Calculated Property |
| Cp,gas | 460.76 | J/mol×K | 628.96 | Joback Calculated Property |
| Cp,gas | 474.33 | J/mol×K | 661.11 | Joback Calculated Property |
| Cp,gas | 487.18 | J/mol×K | 693.27 | Joback Calculated Property |
| Cp,gas | 499.35 | J/mol×K | 725.42 | Joback Calculated Property |
| Cp,gas | 510.85 | J/mol×K | 757.58 | Joback Calculated Property |
| Cp,gas | 521.69 | J/mol×K | 789.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropenyl-5-methyl-4-oxo-hex-5-enyl acetate.
Sources
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