![1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-](/cid/64-260-2/1-3-Cyclohexadiene-5-1-5-dimethyl-4-hexenyl-2-methyl-S-R-S.png "1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-")
- InChI
- InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3
- InChI Key
- KKOXKGNSUHTUBV-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC(C)=CCCC(C)C1C=CC(C)=CC1
- Molecular Weight1
- 204.35
- CAS
- 495-60-3
- Other Names
-
- (-)-zingiberene
- .alpha.-zingiberene
- [S-(R*,S*)]-5-(1,5-dimethyl-4-hexenyl)-2-methyl-1,3-cyclohexadiene
- [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
- l-zingiberene
- zingiberene
- «alpha»-Zingiberene
- «alpha»-zingibirene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.891 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Inp | [1447.00; 1521.00] |
|
|
| Inp | 1493.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | Outlier 1463.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | Outlier 1454.00 | NIST | |
| Inp | Outlier 1471.80 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1489.28 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | Outlier 1447.00 | NIST | |
| Inp | 1506.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | Outlier 1513.00 | NIST | |
| Inp | Outlier 1469.00 | NIST | |
| Inp | Outlier 1521.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | Outlier 1469.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | Outlier 1469.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | Outlier 1469.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | Outlier 1515.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | Outlier 1520.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | Outlier 1515.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Ip | [1681.00; 1745.00] |
|
|
| Ip | 1738.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1745.00 | NIST | |
| Ip | 1745.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1702.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1743.00 | NIST | |
| Ip | Outlier 1683.00 | NIST | |
| Ip | 1701.00 | NIST | |
| Ip | 1696.00 | NIST | |
| Ip | 1696.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1736.00 | NIST | |
| Ip | 1724.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1698.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1718.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | Outlier 1687.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1718.00 | NIST | |
| Ip | 1724.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | Outlier 1681.00 | NIST | |
| Ip | 1735.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1732.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1733.00 | NIST | |
| Ip | 1738.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1721.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 73.30 | kJ/mol | 298.15 | Vapor pressure and vaporization enthalpy studies of the major components of ginger, alpha-zingiberene, beta-sesquiphellandrene and (-) ar curcumene by correlation gas chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.01; 682.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.20480e+01 | |||
| Coefficient B | 1.40528e+00 | |||
| Coefficient C | -8.70020e-04 | |||
| Coefficient D | 2.09100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 261.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 510.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 555.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 594.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 627.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 682.31 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Vapor pressure and vaporization enthalpy studies of the major components of ginger, alpha-zingiberene, beta-sesquiphellandrene and (-) ar curcumene by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.