![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
- (3R)-3-((1S)-1,5-dimethyl-4-hexen-1-yl)-6-methylenecyclohexene
- .beta.-sesquiphellandrene
- Zingiberene
- [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
- l-Zingiberene
- «alpha»-Zingiberene
- «alpha»-zingibirene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 219.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.891 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback 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 | 1490.00 | NIST | |
| Inp | Outlier 1515.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1489.00 | NIST | |
| I | [1681.00; 1745.00] |
|
|
| I | 1738.00 | NIST | |
| I | 1713.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1713.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1743.00 | NIST | |
| I | Outlier 1683.00 | NIST | |
| I | 1701.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1706.00 | NIST | |
| I | Outlier 1687.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1728.00 | NIST | |
| I | Outlier 1681.00 | NIST | |
| I | 1735.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1738.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1721.00 | NIST | |
| Tboil | 569.05 | K | Joback Calculated Property |
| Tc | 774.33 | K | Joback Calculated Property |
| Tfus | 246.19 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.43; 601.53] | J/mol×K | [569.05; 774.33] |
|
| Cp,gas | 494.43 | J/mol×K | 569.05 | Joback Calculated Property |
| Cp,gas | 514.99 | J/mol×K | 603.26 | Joback Calculated Property |
| Cp,gas | 534.40 | J/mol×K | 637.48 | Joback Calculated Property |
| Cp,gas | 552.71 | J/mol×K | 671.69 | Joback Calculated Property |
| Cp,gas | 569.96 | J/mol×K | 705.90 | Joback Calculated Property |
| Cp,gas | 586.22 | J/mol×K | 740.11 | Joback Calculated Property |
| Cp,gas | 601.53 | J/mol×K | 774.33 | Joback Calculated Property |
| ΔvapH | 74.00 | kJ/mol | 298.15 | Vapor p... |
Similar Compounds
Sources
- 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
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