Chemical Properties of «beta»-Bisabolene (CAS 495-61-4)

«beta»-Bisabolene

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InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1
InChI Key
XZRVRYFILCSYSP-HNNXBMFYSA-N
Formula
C15H24
SMILES
C=C(CCC=C(C)C)C1CC=C(C)CC1
Molecular Weight1
204.35
CAS
495-61-4
Other Names
  • Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-
  • 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-
  • l-«beta»-Bisabolene
  • (+,-)-«beta»-Bisabolene
  • 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-
  • beta-Bisabolene
  • (-)-«beta»-bisabolene
  • 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene
  • Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexen-1-yl)-, (4S)-
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Physical Properties

Property Value Unit Source
Δf 271.16 kJ/mol Joback Calculated Property
Δfgas -29.23 kJ/mol Joback Calculated Property
Δfus 23.58 kJ/mol Joback Calculated Property
Δvap 49.81 kJ/mol Joback Calculated Property
log10WS -5.32 Crippen Calculated Property
logPoct/wat 5.035 Crippen Calculated Property
McVol 198.450 ml/mol McGowan Calculated Property
Pc 1845.16 kPa Joback Calculated Property
Inp [1476.00; 1547.00]   Show Hide
Inp 1500.00 NIST
Inp 1497.00 NIST
Inp 1510.00 NIST
Inp 1522.00 NIST
Inp Outlier 1524.00 NIST
Inp 1496.50 NIST
Inp 1503.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1503.00 NIST
Inp 1512.00 NIST
Inp Outlier 1547.00 NIST
Inp 1511.00 NIST
Inp 1509.00 NIST
Inp 1490.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp Outlier 1525.00 NIST
Inp 1517.00 NIST
Inp 1489.00 NIST
Inp 1505.00 NIST
Inp 1507.00 NIST
Inp Outlier 1476.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1505.00 NIST
Inp 1501.00 NIST
Inp 1508.00 NIST
Inp 1510.00 NIST
Inp 1508.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1503.00 NIST
Inp 1491.00 NIST
Inp 1507.00 NIST
Inp 1500.00 NIST
Inp 1497.00 NIST
Inp 1507.00 NIST
Inp 1500.00 NIST
Inp 1507.00 NIST
Inp 1498.00 NIST
Inp 1498.00 NIST
Inp 1506.00 NIST
Inp 1506.00 NIST
Inp 1505.00 NIST
Inp 1505.00 NIST
Inp 1509.00 NIST
Inp 1500.00 NIST
Inp 1508.00 NIST
Inp 1505.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1511.00 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1513.00 NIST
Inp 1507.00 NIST
Inp 1509.00 NIST
Inp 1507.00 NIST
Inp 1496.00 NIST
Inp 1502.00 NIST
Inp 1508.00 NIST
Inp 1507.00 NIST
Inp 1508.00 NIST
Inp 1501.00 NIST
Inp 1508.00 NIST
Inp 1505.00 NIST
Inp 1505.00 NIST
Inp 1495.00 NIST
Inp 1509.00 NIST
Inp 1495.00 NIST
Inp 1499.00 NIST
Inp 1508.00 NIST
Inp 1506.00 NIST
Inp 1506.00 NIST
Inp 1503.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1492.00 NIST
Inp 1509.00 NIST
Inp 1492.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1507.00 NIST
Inp 1505.00 NIST
Inp 1511.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1501.00 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1505.00 NIST
Inp 1497.00 NIST
Inp 1508.00 NIST
Inp 1508.00 NIST
Inp 1510.00 NIST
Inp Outlier 1479.00 NIST
Inp 1508.00 NIST
Inp 1502.00 NIST
Inp 1508.00 NIST
Inp 1515.00 NIST
Inp 1521.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1509.00 NIST
Inp 1488.00 NIST
Inp 1510.00 NIST
Inp 1510.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1504.00 NIST
Inp 1504.00 NIST
Inp 1497.00 NIST
Inp 1502.00 NIST
Inp 1508.00 NIST
Inp 1500.00 NIST
Inp 1507.00 NIST
Inp 1509.00 NIST
Inp 1491.00 NIST
Inp 1495.00 NIST
Inp 1511.00 NIST
Inp 1505.00 NIST
Inp 1510.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1513.00 NIST
Inp 1506.00 NIST
Inp 1508.00 NIST
Inp 1500.00 NIST
Inp 1507.00 NIST
Inp 1509.00 NIST
Inp 1512.00 NIST
Inp 1498.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1518.00 NIST
Inp 1509.00 NIST
Inp 1505.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1506.00 NIST
Inp 1500.00 NIST
Inp 1508.00 NIST
Inp 1505.00 NIST
Inp 1509.00 NIST
Inp 1502.00 NIST
Inp 1510.00 NIST
Inp 1517.00 NIST
Inp 1500.00 NIST
Inp 1512.00 NIST
Inp 1506.00 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1508.00 NIST
Inp 1504.00 NIST
Inp 1495.00 NIST
Inp 1501.00 NIST
Inp 1503.99 NIST
Inp 1498.00 NIST
Inp 1501.00 NIST
Inp 1495.00 NIST
Inp 1513.00 NIST
Inp 1503.00 NIST
Inp 1505.00 NIST
Inp 1493.00 NIST
Inp 1503.00 NIST
Inp 1514.40 NIST
Inp 1509.00 NIST
Inp 1507.00 NIST
Inp 1507.00 NIST
Inp 1520.00 NIST
Inp 1505.00 NIST
Inp Outlier 1486.00 NIST
Inp 1513.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp Outlier 1482.00 NIST
Inp Outlier 1482.00 NIST
Inp Outlier 1536.00 NIST
Inp 1515.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp Outlier 1544.00 NIST
Inp 1506.00 NIST
Inp 1507.00 NIST
Inp 1514.00 NIST
Inp 1508.00 NIST
Inp 1503.00 NIST
Inp 1505.00 NIST
Inp 1513.00 NIST
Inp 1514.00 NIST
Inp 1496.00 NIST
Inp 1509.00 NIST
Inp 1519.00 NIST
Inp 1506.00 NIST
Inp 1516.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1513.00 NIST
Inp 1509.00 NIST
Inp Outlier 1546.00 NIST
Inp 1519.00 NIST
Inp 1516.00 NIST
Inp 1509.00 NIST
Inp 1503.00 NIST
Inp 1508.00 NIST
Inp 1503.00 NIST
Inp 1505.00 NIST
Inp 1507.00 NIST
Inp 1508.00 NIST
Inp 1509.00 NIST
Inp 1516.00 NIST
Inp 1508.00 NIST
Inp 1500.00 NIST
Inp Outlier 1479.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1513.00 NIST
Inp 1511.00 NIST
Inp 1512.00 NIST
Inp 1511.00 NIST
Inp Outlier 1536.00 NIST
Inp 1504.70 NIST
Inp 1494.00 NIST
Inp 1503.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1506.00 NIST
Inp 1495.00 NIST
Inp 1505.00 NIST
Inp 1507.00 NIST
Inp 1496.00 NIST
Inp 1509.00 NIST
Inp 1496.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1505.00 NIST
Inp Outlier 1533.00 NIST
Inp 1510.00 NIST
Inp 1502.00 NIST
Inp 1503.00 NIST
Inp 1506.00 NIST
Inp 1508.00 NIST
Inp 1514.00 NIST
Inp 1504.00 NIST
Inp Outlier 1481.00 NIST
Inp 1500.00 NIST
Inp 1504.00 NIST
Inp 1504.00 NIST
Inp 1512.00 NIST
Inp 1522.00 NIST
Inp 1506.00 NIST
Inp 1501.00 NIST
Inp Outlier 1528.00 NIST
Inp Outlier 1485.00 NIST
Inp Outlier 1536.00 NIST
Inp 1494.00 NIST
Inp 1511.00 NIST
Inp 1506.00 NIST
Inp Outlier 1485.00 NIST
Inp 1504.00 NIST
Inp 1505.00 NIST
Inp 1509.00 NIST
Inp 1507.00 NIST
Inp 1501.00 NIST
Inp 1505.00 NIST
Inp 1507.00 NIST
Inp 1509.00 NIST
Inp 1489.00 NIST
Inp 1513.00 NIST
Inp 1513.00 NIST
Inp 1507.00 NIST
Inp 1505.00 NIST
Inp 1498.00 NIST
Inp 1513.00 NIST
Inp 1513.00 NIST
Inp 1506.00 NIST
Inp Outlier 1484.00 NIST
Inp 1505.00 NIST
Inp 1506.00 NIST
Inp 1506.00 NIST
Inp 1508.00 NIST
Inp 1513.00 NIST
Inp 1508.00 NIST
Inp 1506.00 NIST
Inp 1502.00 NIST
Inp 1498.00 NIST
Inp 1503.00 NIST
Inp 1517.00 NIST
Inp 1509.00 NIST
Inp Outlier 1476.00 NIST
Inp 1504.00 NIST
Inp Outlier 1485.00 NIST
Inp 1510.00 NIST
Inp 1498.00 NIST
Inp 1510.00 NIST
Inp 1503.00 NIST
Inp 1496.00 NIST
Inp 1516.00 NIST
Inp 1508.00 NIST
Inp Outlier 1525.00 NIST
Inp 1509.00 NIST
Inp 1492.00 NIST
Inp 1497.00 NIST
Inp 1509.00 NIST
Inp 1498.00 NIST
Inp 1501.00 NIST
Inp 1503.00 NIST
Inp 1503.00 NIST
Inp 1498.00 NIST
Inp 1512.00 NIST
Inp 1512.00 NIST
Inp 1508.00 NIST
Inp 1494.00 NIST
Inp 1500.00 NIST
Inp Outlier 1485.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1497.00 NIST
Inp 1515.00 NIST
Inp 1503.00 NIST
Inp 1499.00 NIST
Inp 1510.00 NIST
Inp 1501.00 NIST
Inp 1504.00 NIST
Inp 1488.00 NIST
Inp 1490.00 NIST
Inp 1500.00 NIST
Inp 1492.00 NIST
Inp 1506.00 NIST
Inp 1508.00 NIST
Inp 1497.00 NIST
Inp 1510.00 NIST
Inp 1509.00 NIST
Inp Outlier 1485.00 NIST
Inp 1513.00 NIST
Inp 1510.00 NIST
Inp 1490.00 NIST
Inp 1496.00 NIST
Inp 1510.00 NIST
Inp 1493.00 NIST
Inp 1513.00 NIST
Inp 1498.00 NIST
Inp 1508.00 NIST
Inp 1508.00 NIST
Inp 1503.00 NIST
Inp 1488.00 NIST
Inp 1492.00 NIST
Inp Outlier 1485.00 NIST
Inp Outlier 1482.00 NIST
Inp 1509.00 NIST
Inp 1504.00 NIST
Inp 1511.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1511.00 NIST
Inp 1497.00 NIST
Inp 1495.00 NIST
Inp 1494.00 NIST
Inp 1510.00 NIST
Inp Outlier 1485.00 NIST
Inp 1509.00 NIST
Inp 1497.00 NIST
Inp 1507.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1497.00 NIST
Inp 1500.00 NIST
Inp 1492.00 NIST
Inp 1500.00 NIST
Inp 1507.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1496.00 NIST
Inp 1514.00 NIST
Inp 1513.00 NIST
Inp 1494.00 NIST
Inp 1508.00 NIST
Inp 1501.20 NIST
Inp 1496.00 NIST
Inp 1500.00 NIST
Inp Outlier 1531.00 NIST
Inp Outlier 1530.00 NIST
Inp Outlier 1530.00 NIST
Inp 1495.00 NIST
Inp Outlier 1528.00 NIST
Inp 1496.00 NIST
Inp 1496.00 NIST
Inp 1498.00 NIST
Inp 1493.00 NIST
Inp 1506.00 NIST
Inp 1500.00 NIST
Inp 1512.00 NIST
Inp 1496.00 NIST
Inp 1501.00 NIST
Inp Outlier 1527.00 NIST
Inp 1499.00 NIST
Inp 1516.00 NIST
Inp 1501.00 NIST
Inp 1500.00 NIST
Inp 1509.00 NIST
Inp 1513.00 NIST
Inp 1503.00 NIST
Inp 1513.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1504.00 NIST
Inp Outlier 1478.00 NIST
Inp 1500.00 NIST
Inp 1503.00 NIST
Inp 1505.00 NIST
Inp 1506.00 NIST
Inp 1505.00 NIST
Inp 1505.00 NIST
Inp 1511.00 NIST
Inp 1501.00 NIST
Inp 1505.00 NIST
Inp 1512.00 NIST
Inp 1506.00 NIST
Inp 1510.00 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1498.00 NIST
Inp 1517.00 NIST
Inp 1510.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1510.00 NIST
Inp 1506.00 NIST
Inp 1505.00 NIST
Inp 1504.00 NIST
Inp 1512.00 NIST
Inp 1506.00 NIST
Inp 1510.00 NIST
Inp 1501.00 NIST
Inp 1496.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1510.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1510.00 NIST
Inp 1512.00 NIST
Inp 1508.00 NIST
Inp 1506.00 NIST
Inp 1489.00 NIST
Inp 1495.00 NIST
Inp 1509.00 NIST
Inp 1495.00 NIST
Inp 1495.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1508.00 NIST
Inp 1509.00 NIST
Inp 1505.00 NIST
Inp 1517.00 NIST
Inp 1517.00 NIST
Inp 1502.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1506.00 NIST
Inp 1511.00 NIST
Inp 1492.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1505.00 NIST
Inp 1520.00 NIST
Inp 1520.00 NIST
Inp 1509.00 NIST
Inp 1509.00 NIST
Inp 1523.00 NIST
Inp 1509.00 NIST
Inp 1496.00 NIST
Inp 1497.00 NIST
Inp 1497.00 NIST
Inp 1495.00 NIST
Inp 1506.00 NIST
Inp 1507.00 NIST
Inp 1495.00 NIST
Inp 1503.00 NIST
Inp 1495.00 NIST
Inp 1496.00 NIST
Inp 1516.00 NIST
Inp 1509.00 NIST
Inp 1507.00 NIST
Inp 1513.00 NIST
Inp 1506.00 NIST
Inp 1500.00 NIST
Inp 1511.00 NIST
Inp 1494.00 NIST
Inp 1495.00 NIST
Inp 1496.00 NIST
Inp 1510.00 NIST
Inp 1514.00 NIST
Inp 1504.00 NIST
Inp Outlier 1528.00 NIST
Inp 1489.00 NIST
Inp 1498.00 NIST
Inp 1505.00 NIST
Inp 1508.00 NIST
Inp 1517.00 NIST
Inp 1516.00 NIST
Inp 1497.00 NIST
Inp 1503.00 NIST
Inp 1490.00 NIST
Inp 1492.00 NIST
Inp Outlier 1530.00 NIST
Inp 1512.00 NIST
Inp 1501.00 NIST
Inp 1496.50 NIST
I [1678.00; 1770.00]   Show Hide
I 1731.00 NIST
I 1746.00 NIST
I 1726.00 NIST
I 1746.00 NIST
I 1748.00 NIST
I 1736.00 NIST
I 1715.00 NIST
I 1704.00 NIST
I 1724.00 NIST
I Outlier 1763.00 NIST
I 1726.00 NIST
I 1735.00 NIST
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I 1729.00 NIST
I Outlier 1678.00 NIST
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I Outlier 1694.00 NIST
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I 1747.00 NIST
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I Outlier 1694.00 NIST
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I Outlier 1694.00 NIST
I Outlier 1694.00 NIST
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I 1729.00 NIST
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I 1698.00 NIST
I Outlier 1763.00 NIST
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I 1736.00 NIST
I 1731.00 NIST
I 1736.00 NIST
I 1758.00 NIST
I 1724.00 NIST
I 1737.00 NIST
I 1716.00 NIST
I 1745.00 NIST
I 1720.00 NIST
I 1737.00 NIST
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I 1724.00 NIST
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I 1737.00 NIST
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I 1728.00 NIST
I 1735.00 NIST
I Outlier 1770.00 NIST
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I 1721.00 NIST
I 1734.00 NIST
I Outlier 1678.00 NIST
I 1735.00 NIST
I 1735.00 NIST
I 1743.00 NIST
I 1743.00 NIST
I 1741.00 NIST
I Outlier 1686.00 NIST
I 1743.00 NIST
I 1713.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1727.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1745.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1741.00 NIST
I 1740.00 NIST
I 1741.00 NIST
I 1713.00 NIST
I 1741.00 NIST
I 1734.00 NIST
I 1737.00 NIST
I 1745.00 NIST
I 1737.00 NIST
I 1724.00 NIST
I 1718.00 NIST
I 1746.00 NIST
I 1737.00 NIST
I 1739.00 NIST
I 1711.00 NIST
I 1743.00 NIST
I 1713.00 NIST
I 1741.00 NIST
I 1740.00 NIST
I 1737.00 NIST
I 1746.00 NIST
Tboil 566.89 K Joback Calculated Property
Tc 773.75 K Joback Calculated Property
Tfus 244.71 K Joback Calculated Property
Vc 0.757 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [492.97; 602.09] J/mol×K [566.89; 773.75] Show Hide
Cp,gas 492.97 J/mol×K 566.89 Joback Calculated Property
Cp,gas 513.94 J/mol×K 601.37 Joback Calculated Property
Cp,gas 533.73 J/mol×K 635.84 Joback Calculated Property
Cp,gas 552.38 J/mol×K 670.32 Joback Calculated Property
Cp,gas 569.95 J/mol×K 704.80 Joback Calculated Property
Cp,gas 586.51 J/mol×K 739.28 Joback Calculated Property
Cp,gas 602.09 J/mol×K 773.75 Joback Calculated Property

Similar Compounds

Bisabolene. (+)-Axinyssene. Myrcene dimer. Dimyrcene isomer # 3. p-Camphorene. dimyrcene-II. Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-. Limonene. D-Limonene. Limonene. (R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene. (+)-(7S)-Helmintogermacrene. Helmintogermacrene. (+)-Germacrene A. (+)-Helminthogermacrene.

Find more compounds similar to «beta»-Bisabolene.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.