Chemical Properties of Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1«alpha»,2«beta»,4«beta»)]- (CAS 515-13-9)

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1«alpha»,2«beta»,4«beta»)]-

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InChI
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
InChI Key
OPFTUNCRGUEPRZ-QLFBSQMISA-N
Formula
C15H24
SMILES
C=CC1(C)CCC(C(=C)C)CC1C(=C)C
Molecular Weight1
204.35
CAS
515-13-9
Other Names
  • Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-
  • «beta»-Elemene, (-)-
  • (-)-«beta»-Elemene
  • «beta»-Elemen
  • levo-«beta»-Elemene
  • «beta»-Elemene
  • «beta»-Elemene enantiomer
  • 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, [1S-(1«alpha»,2«beta»,4«beta»)]-
  • Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-
  • beta elemene
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Physical Properties

Property Value Unit Source
Δf 325.38 kJ/mol Joback Calculated Property
Δfgas 32.66 kJ/mol Joback Calculated Property
Δfus 15.82 kJ/mol Joback Calculated Property
Δvap 45.79 kJ/mol Joback Calculated Property
log10WS -4.83 Crippen Calculated Property
logPoct/wat 4.747 Crippen Calculated Property
McVol 198.450 ml/mol McGowan Calculated Property
Pc 1829.41 kPa Joback Calculated Property
Inp [1343.00; 1439.00]   Show Hide
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Inp Outlier 1363.00 NIST
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Inp Outlier 1367.00 NIST
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Inp Outlier 1358.00 NIST
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Inp 1395.00 NIST
Inp 1393.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1392.00 NIST
Inp 1392.00 NIST
Inp 1392.00 NIST
Inp 1378.00 NIST
Inp 1392.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1391.50 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp 1393.00 NIST
Inp Outlier 1421.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1395.00 NIST
Inp 1379.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1382.00 NIST
Inp 1382.00 NIST
Inp 1393.00 NIST
Inp 1404.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1387.00 NIST
Inp 1389.00 NIST
Inp 1393.00 NIST
Inp 1386.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp 1393.00 NIST
Inp 1393.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp 1396.00 NIST
Inp 1398.00 NIST
Inp 1402.00 NIST
Inp 1391.00 NIST
Inp 1374.00 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp 1381.00 NIST
Inp 1388.00 NIST
Inp 1400.00 NIST
Inp 1392.00 NIST
Inp 1398.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp 1394.00 NIST
Inp 1387.00 NIST
Inp 1388.00 NIST
Inp 1389.00 NIST
Inp 1388.00 NIST
Inp 1386.00 NIST
Inp 1388.00 NIST
Inp 1385.00 NIST
Inp 1385.00 NIST
Inp 1394.00 NIST
Inp 1391.00 NIST
Inp 1394.00 NIST
Inp 1386.00 NIST
Inp Outlier 1410.00 NIST
Inp 1394.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1389.00 NIST
Inp 1388.00 NIST
Inp 1386.00 NIST
Inp 1399.00 NIST
Inp 1382.00 NIST
Inp 1385.00 NIST
Inp 1392.00 NIST
Inp Outlier 1362.00 NIST
Inp 1391.00 NIST
Inp 1393.00 NIST
Inp 1375.00 NIST
Inp 1395.00 NIST
Inp 1377.00 NIST
Inp 1396.00 NIST
Inp 1404.80 NIST
Inp 1404.00 NIST
Inp 1397.00 NIST
Inp Outlier 1418.00 NIST
Inp 1379.00 NIST
Inp Outlier 1420.00 NIST
Inp 1400.00 NIST
Inp Outlier 1354.00 NIST
Inp 1373.00 NIST
Inp 1401.00 NIST
Inp 1376.00 NIST
Inp 1372.00 NIST
Inp 1402.00 NIST
Inp 1374.00 NIST
Inp 1403.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp Outlier 1343.00 NIST
Inp 1390.50 NIST
Inp 1381.00 NIST
Inp 1407.00 NIST
Inp 1398.00 NIST
Inp Outlier 1416.00 NIST
Inp 1383.00 NIST
Inp Outlier 1426.50 NIST
Inp Outlier 1439.00 NIST
I [1540.00; 1633.00]   Show Hide
I 1608.00 NIST
I Outlier 1627.00 NIST
I 1608.00 NIST
I 1600.00 NIST
I 1589.00 NIST
I 1602.00 NIST
I 1578.00 NIST
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I 1586.00 NIST
I 1574.00 NIST
I 1596.00 NIST
I Outlier 1556.00 NIST
I Outlier 1556.00 NIST
I Outlier 1562.00 NIST
I Outlier 1565.00 NIST
I 1600.00 NIST
I Outlier 1617.00 NIST
I 1589.00 NIST
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I Outlier 1563.00 NIST
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I 1579.00 NIST
I 1589.00 NIST
I Outlier 1562.00 NIST
I 1589.00 NIST
I 1590.00 NIST
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I 1584.00 NIST
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I 1585.00 NIST
I 1598.00 NIST
I 1586.00 NIST
I Outlier 1560.00 NIST
I 1573.00 NIST
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I 1585.00 NIST
I 1585.00 NIST
I 1585.00 NIST
I 1596.00 NIST
I 1596.00 NIST
I 1586.00 NIST
I 1586.00 NIST
I Outlier 1559.00 NIST
I 1585.00 NIST
I 1591.00 NIST
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I 1585.00 NIST
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I 1585.00 NIST
I 1585.00 NIST
I 1602.00 NIST
I 1605.00 NIST
I Outlier 1562.00 NIST
I 1600.00 NIST
I 1583.00 NIST
I Outlier 1565.00 NIST
I 1580.00 NIST
I 1589.00 NIST
I 1588.00 NIST
I 1589.00 NIST
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I 1580.00 NIST
I 1570.00 NIST
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I 1605.00 NIST
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I 1585.00 NIST
I 1596.00 NIST
I 1589.00 NIST
I 1570.00 NIST
I 1587.00 NIST
I 1595.00 NIST
I 1600.00 NIST
I 1599.00 NIST
I 1579.00 NIST
I 1578.00 NIST
I Outlier 1540.00 NIST
I 1600.00 NIST
I 1581.00 NIST
I 1585.00 NIST
I 1593.00 NIST
I 1590.00 NIST
I 1587.00 NIST
I 1589.00 NIST
I 1589.00 NIST
I 1595.00 NIST
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I 1606.00 NIST
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I Outlier 1622.00 NIST
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I Outlier 1566.00 NIST
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I 1586.00 NIST
I Outlier 1633.00 NIST
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I Outlier 1617.00 NIST
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I 1606.00 NIST
I 1600.00 NIST
I 1578.00 NIST
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I 1600.00 NIST
I 1598.00 NIST
I 1600.00 NIST
I Outlier 1616.00 NIST
I 1592.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1595.00 NIST
I 1600.00 NIST
I 1574.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
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I 1600.00 NIST
I 1587.00 NIST
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I 1600.00 NIST
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I 1585.00 NIST
I 1600.00 NIST
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I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
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I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
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I 1600.00 NIST
I 1600.00 NIST
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I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1588.00 NIST
I 1600.00 NIST
I 1590.00 NIST
I 1611.00 NIST
I 1587.00 NIST
I 1600.00 NIST
I 1608.00 NIST
I 1600.00 NIST
I 1586.00 NIST
I Outlier 1562.00 NIST
I 1589.00 NIST
I 1585.00 NIST
I 1584.00 NIST
I 1575.00 NIST
I 1590.00 NIST
I 1588.00 NIST
I 1594.00 NIST
I 1596.00 NIST
I 1591.00 NIST
Tboil 542.85 K Joback Calculated Property
Tc 754.13 K Joback Calculated Property
Tfus 248.41 K Joback Calculated Property
Vc 0.750 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [488.78; 606.82] J/mol×K [542.85; 754.13] Show Hide
Cp,gas 488.78 J/mol×K 542.85 Joback Calculated Property
Cp,gas 511.42 J/mol×K 578.06 Joback Calculated Property
Cp,gas 532.71 J/mol×K 613.28 Joback Calculated Property
Cp,gas 552.77 J/mol×K 648.49 Joback Calculated Property
Cp,gas 571.73 J/mol×K 683.70 Joback Calculated Property
Cp,gas 589.70 J/mol×K 718.92 Joback Calculated Property
Cp,gas 606.82 J/mol×K 754.13 Joback Calculated Property

Similar Compounds

Elemene. (5S,7S,10R)-cis-«beta»-Elemene, diastereomer. 1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)cyclohexane. (Z)-«beta»-Elemene. Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1«alpha»,2«beta»,4«beta»)-. cis-«beta»-Elemene diastereomer. (-)-(1S,2S,3S)-1-Ethenyl-1-methyl-2,3-di(1-methyl-ethenyl)- cyclohexane [(-)-(5S,6S,10S)-iso-«beta»-elemene]. iso-«beta»-elemene. cis-«beta»-Elemene. Bicycloelemene. Elemenal. (-)-Elema-1,3,11(13)-trien-12-al. «beta»-Gorgonene. (+)-(5R,6S,10S)-«alpha»-gorgonene. epi-«beta»-Selinene.

Find more compounds similar to Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1«alpha»,2«beta»,4«beta»)]-.

Sources

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