- InChI
- InChI=1S/C12H16O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h6-8H,4-5H2,1-3H3
- InChI Key
- RVTJUTXCUYSHAZ-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- COc1ccc(CCC(C)=O)cc1OC
- Molecular Weight1
- 208.25
- CAS
- 6302-60-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -195.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.225 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1696.10] |
|
|
| Inp | 1696.10 | NIST | |
| Inp | 1696.10 | NIST | |
| Inp | 1660.00 | NIST | |
| I | [2640.00; 2640.00] |
|
|
| I | 2640.00 | NIST | |
| I | 2640.00 | NIST | |
| Tboil | 609.31 | K | Joback Calculated Property |
| Tc | 815.15 | K | Joback Calculated Property |
| Tfus | 370.85 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.81; 494.48] | J/mol×K | [609.31; 815.15] |
|
| Cp,gas | 418.81 | J/mol×K | 609.31 | Joback Calculated Property |
| Cp,gas | 433.24 | J/mol×K | 643.62 | Joback Calculated Property |
| Cp,gas | 446.94 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 459.92 | J/mol×K | 712.23 | Joback Calculated Property |
| Cp,gas | 472.17 | J/mol×K | 746.54 | Joback Calculated Property |
| Cp,gas | 483.69 | J/mol×K | 780.85 | Joback Calculated Property |
| Cp,gas | 494.48 | J/mol×K | 815.15 | Joback Calculated Property |
| η | [0.0001427; 0.0010176] | Pa×s | [370.85; 609.31] |
|
| η | 0.0010176 | Pa×s | 370.85 | Joback Calculated Property |
| η | 0.0006260 | Pa×s | 410.59 | Joback Calculated Property |
| η | 0.0004195 | Pa×s | 450.34 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 490.08 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 529.82 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 569.57 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 609.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl zingerone.
Sources
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