- InChI
- InChI=1S/C12H20O3/c1-8(2)11(7-15-10(5)13)6-12(14)9(3)4/h11-12,14H,1,3,6-7H2,2,4-5H3
- InChI Key
- WZDDZSJLPOFSIZ-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- C=C(C)C(O)CC(COC(C)=O)C(=C)C
- Molecular Weight1
- 212.29
- 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° | -166.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.069 | Crippen Calculated Property | |
| McVol | 184.650 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | 1407.00 | NIST | |
| I | [2160.00; 2160.00] |
|
|
| I | 2160.00 | NIST | |
| I | 2160.00 | NIST | |
| Tboil | 634.67 | K | Joback Calculated Property |
| Tc | 814.83 | K | Joback Calculated Property |
| Tfus | 296.54 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.19; 556.49] | J/mol×K | [634.67; 814.83] |
|
| Cp,gas | 486.19 | J/mol×K | 634.67 | Joback Calculated Property |
| Cp,gas | 499.46 | J/mol×K | 664.70 | Joback Calculated Property |
| Cp,gas | 512.08 | J/mol×K | 694.72 | Joback Calculated Property |
| Cp,gas | 524.07 | J/mol×K | 724.75 | Joback Calculated Property |
| Cp,gas | 535.46 | J/mol×K | 754.78 | Joback Calculated Property |
| Cp,gas | 546.26 | J/mol×K | 784.80 | Joback Calculated Property |
| Cp,gas | 556.49 | J/mol×K | 814.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl acetate.
Sources
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