- InChI
- InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3
- InChI Key
- DCXXKSXLKWAZNO-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=CC(=C)CCCC(C)(C)OC(C)=O
- Molecular Weight1
- 196.29
- CAS
- 1118-39-4
- 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° | -13.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.241 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [1246.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1246.00 | NIST | |
| I | [1571.00; 1595.00] |
|
|
| I | 1595.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1574.00 | NIST | |
| Tboil | 540.26 | K | Joback Calculated Property |
| Tc | 728.81 | K | Joback Calculated Property |
| Tfus | 282.10 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.58; 510.56] | J/mol×K | [540.26; 728.81] |
|
| Cp,gas | 427.58 | J/mol×K | 540.26 | Joback Calculated Property |
| Cp,gas | 443.36 | J/mol×K | 571.68 | Joback Calculated Property |
| Cp,gas | 458.31 | J/mol×K | 603.11 | Joback Calculated Property |
| Cp,gas | 472.48 | J/mol×K | 634.53 | Joback Calculated Property |
| Cp,gas | 485.89 | J/mol×K | 665.96 | Joback Calculated Property |
| Cp,gas | 498.57 | J/mol×K | 697.38 | Joback Calculated Property |
| Cp,gas | 510.56 | J/mol×K | 728.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrcenyl acetate.
Sources
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