- InChI
- InChI=1S/C12H18O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8H,1-2,6-7,9H2,3-4H3/b11-8+
- InChI Key
- YGUUXLXMTKARJN-DHZHZOJOSA-N
- Formula
- C12H18O2
- SMILES
- C=CC(=C)CCC=C(C)COC(C)=O
- Molecular Weight1
- 194.27
- 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° | 55.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 3.018 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | 1348.00 | NIST | |
| I | [1737.00; 1754.00] |
|
|
| I | 1737.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1754.00 | NIST | |
| Tboil | 547.53 | K | Joback Calculated Property |
| Tc | 736.56 | K | Joback Calculated Property |
| Tfus | 260.64 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.87; 483.42] | J/mol×K | [547.53; 736.56] |
|
| Cp,gas | 405.87 | J/mol×K | 547.53 | Joback Calculated Property |
| Cp,gas | 420.52 | J/mol×K | 579.03 | Joback Calculated Property |
| Cp,gas | 434.44 | J/mol×K | 610.54 | Joback Calculated Property |
| Cp,gas | 447.66 | J/mol×K | 642.04 | Joback Calculated Property |
| Cp,gas | 460.22 | J/mol×K | 673.55 | Joback Calculated Property |
| Cp,gas | 472.12 | J/mol×K | 705.05 | Joback Calculated Property |
| Cp,gas | 483.42 | J/mol×K | 736.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrcen-8-yl acetate.
Sources
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