Chemical Properties of (-)-«beta»-Bourbonene (CAS 5208-59-3)

(-)-«beta»-Bourbonene

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InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14?,15-/m1/s1
InChI Key
YIRAHEODBQONHI-XTLGRWLVSA-N
Formula
C15H24
SMILES
C=C1CCC2C1C1C(C(C)C)CCC21C
Molecular Weight1
204.35
CAS
5208-59-3
Other Names
  • Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, [1S-(1«alpha»,3a«alpha»,3b«beta»,6a«beta»,6b«alpha»)]-
  • «beta»-Bourbonene
  • Cyclobuta[1,2:3,4]dicyclopentene, 1,2,3,3a,3b«beta»,4,5,6,6a«beta»,6b«alpha»-decahydro-1«alpha»-isopropyl-3a«alpha»-methyl-6-methylene-
  • Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1«alpha»,3a«alpha»,3b«beta»,6a«beta»,6b«alpha»)-
  • [1S-[1«alpha»,3a«alpha»,3b«beta»,6a«beta»,6b«alpha»]]-Cyclobuta[1,2:3,4]dicyclopentene-decahydro-3a-methyl-6-methylene-1-[1-methylethyl]
  • (1S,3aS,3bR,6aS,6bR)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclobuta[1,2:3,4]di[5]annulene
  • «beta»-bourbenene
  • Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S,3aS,3bR,6aS,6bR)-
  • beta-bourbonene
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Physical Properties

Property Value Unit Source
Δf 275.30 kJ/mol Joback Calculated Property
Δfgas -87.17 kJ/mol Joback Calculated Property
Δfus 18.07 kJ/mol Joback Calculated Property
Δvap 46.90 kJ/mol Joback Calculated Property
log10WS -4.19 Crippen Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Pc 1998.33 kPa Joback Calculated Property
Inp [1339.00; 1430.00]   Show Hide
Inp Outlier 1411.70 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp Outlier 1406.00 NIST
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Inp 1391.00 NIST
Inp 1393.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp Outlier 1412.00 NIST
Inp 1401.00 NIST
Inp 1382.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1375.00 NIST
Inp 1396.00 NIST
Inp 1375.00 NIST
Inp 1383.00 NIST
Inp 1380.00 NIST
Inp 1391.00 NIST
Inp 1384.00 NIST
Inp 1374.00 NIST
Inp Outlier 1407.00 NIST
Inp 1382.00 NIST
Inp 1384.00 NIST
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Inp 1386.00 NIST
Inp 1387.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp 1377.00 NIST
Inp 1384.00 NIST
Inp 1383.00 NIST
Inp 1386.00 NIST
Inp 1387.00 NIST
Inp Outlier 1346.00 NIST
Inp Outlier 1346.00 NIST
Inp 1386.00 NIST
Inp Outlier 1347.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1383.00 NIST
Inp 1385.00 NIST
Inp 1384.00 NIST
Inp Outlier 1407.00 NIST
Inp 1387.00 NIST
Inp Outlier 1408.00 NIST
Inp 1391.00 NIST
Inp 1385.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1388.00 NIST
Inp Outlier 1354.00 NIST
Inp 1374.00 NIST
Inp 1382.00 NIST
Inp 1382.00 NIST
Inp 1392.00 NIST
Inp 1384.00 NIST
Inp 1381.00 NIST
Inp Outlier 1361.00 NIST
Inp 1374.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp 1384.00 NIST
Inp 1385.00 NIST
Inp 1388.00 NIST
Inp 1383.00 NIST
Inp 1387.00 NIST
Inp 1384.00 NIST
Inp Outlier 1358.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp 1374.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp 1381.00 NIST
Inp 1380.00 NIST
Inp 1388.00 NIST
Inp 1378.00 NIST
Inp 1382.00 NIST
Inp 1376.00 NIST
Inp 1386.00 NIST
Inp 1388.00 NIST
Inp 1384.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1362.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1362.00 NIST
Inp 1375.00 NIST
Inp 1377.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1388.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1385.00 NIST
Inp 1382.70 NIST
Inp 1389.00 NIST
Inp 1394.50 NIST
Inp 1380.00 NIST
Inp 1376.00 NIST
Inp 1386.00 NIST
Inp 1375.00 NIST
Inp 1385.00 NIST
Inp 1380.00 NIST
Inp 1385.00 NIST
Inp 1383.00 NIST
Inp 1385.00 NIST
Inp 1387.00 NIST
Inp 1382.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1397.00 NIST
Inp 1386.00 NIST
Inp 1385.00 NIST
Inp 1384.00 NIST
Inp 1364.00 NIST
Inp 1388.00 NIST
Inp 1380.00 NIST
Inp 1385.00 NIST
Inp 1386.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1368.00 NIST
Inp 1362.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
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Inp 1384.00 NIST
Inp 1385.00 NIST
Inp 1382.00 NIST
Inp 1383.00 NIST
Inp 1375.00 NIST
Inp 1386.00 NIST
Inp 1380.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1377.00 NIST
Inp 1381.00 NIST
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Inp 1394.00 NIST
Inp 1384.00 NIST
Inp 1400.00 NIST
Inp 1384.00 NIST
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Inp 1386.00 NIST
Inp 1382.00 NIST
Inp 1378.00 NIST
Inp 1383.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1369.00 NIST
Inp 1391.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1390.00 NIST
Inp 1369.00 NIST
Inp 1405.00 NIST
Inp 1365.00 NIST
Inp 1378.00 NIST
Inp 1400.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1397.00 NIST
Inp Outlier 1417.00 NIST
Inp 1388.00 NIST
Inp 1383.00 NIST
Inp 1388.00 NIST
Inp 1385.00 NIST
Inp 1380.00 NIST
Inp 1387.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp 1381.00 NIST
Inp 1385.00 NIST
Inp 1379.00 NIST
Inp 1393.00 NIST
Inp 1378.00 NIST
Inp 1378.00 NIST
Inp 1378.00 NIST
Inp Outlier 1339.00 NIST
Inp Outlier 1339.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1372.00 NIST
Inp 1384.00 NIST
Inp Outlier 1429.00 NIST
Inp 1381.00 NIST
Inp 1386.00 NIST
Inp 1386.00 NIST
Inp 1375.00 NIST
Inp 1383.00 NIST
Inp 1391.00 NIST
Inp 1375.00 NIST
Inp 1385.00 NIST
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Inp 1392.00 NIST
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Inp 1378.00 NIST
Inp 1388.00 NIST
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Inp 1388.00 NIST
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Inp 1392.00 NIST
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Inp 1392.00 NIST
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Inp 1388.00 NIST
Inp 1398.00 NIST
Inp 1385.00 NIST
Inp 1380.00 NIST
Inp 1379.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1379.00 NIST
Inp Outlier 1407.00 NIST
Inp 1393.00 NIST
Inp 1391.00 NIST
Inp 1386.00 NIST
Inp 1381.00 NIST
Inp 1370.00 NIST
Inp 1389.00 NIST
Inp 1378.00 NIST
Inp 1393.00 NIST
Inp 1391.00 NIST
Inp 1382.00 NIST
Inp 1387.00 NIST
Inp Outlier 1346.00 NIST
Inp 1388.00 NIST
Inp Outlier 1339.00 NIST
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Inp 1374.00 NIST
Inp 1384.00 NIST
Inp 1387.00 NIST
Inp 1387.00 NIST
Inp 1381.00 NIST
Inp 1379.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1387.00 NIST
Inp 1374.00 NIST
Inp Outlier 1357.00 NIST
Inp 1403.00 NIST
Inp 1390.00 NIST
Inp 1393.00 NIST
Inp 1381.00 NIST
Inp 1390.00 NIST
Inp 1386.00 NIST
Inp 1388.00 NIST
Inp 1373.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp Outlier 1351.00 NIST
Inp 1379.00 NIST
Inp 1383.00 NIST
Inp 1397.00 NIST
Inp Outlier 1418.00 NIST
Inp 1363.00 NIST
Inp 1384.00 NIST
Inp 1382.00 NIST
Inp 1382.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1382.00 NIST
Inp Outlier 1418.00 NIST
Inp 1385.00 NIST
Inp 1382.00 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp 1366.00 NIST
Inp 1370.00 NIST
Inp 1389.00 NIST
Inp 1389.00 NIST
Inp 1379.00 NIST
Inp Outlier 1360.00 NIST
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Inp 1376.00 NIST
Inp 1388.00 NIST
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Inp 1385.00 NIST
Inp 1380.00 NIST
Inp 1385.00 NIST
Inp 1391.00 NIST
Inp 1368.00 NIST
Inp 1383.00 NIST
Inp 1378.00 NIST
Inp 1388.00 NIST
Inp 1382.00 NIST
Inp 1389.00 NIST
Inp 1398.00 NIST
Inp Outlier 1352.00 NIST
Inp 1366.00 NIST
Inp Outlier 1356.00 NIST
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Inp 1386.00 NIST
Inp 1381.00 NIST
Inp 1383.00 NIST
Inp 1381.00 NIST
Inp 1387.00 NIST
Inp 1384.00 NIST
Inp 1371.00 NIST
Inp 1383.00 NIST
Inp 1368.00 NIST
Inp 1380.00 NIST
Inp 1388.00 NIST
Inp 1405.00 NIST
Inp 1382.00 NIST
Inp 1393.00 NIST
Inp 1372.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1386.00 NIST
Inp 1386.00 NIST
Inp 1394.00 NIST
Inp 1380.00 NIST
Inp 1386.00 NIST
Inp 1390.00 NIST
Inp 1380.00 NIST
Inp 1385.00 NIST
Inp 1384.00 NIST
Inp 1377.00 NIST
Inp 1365.00 NIST
Inp 1380.00 NIST
Inp Outlier 1406.00 NIST
Inp 1382.00 NIST
Inp 1381.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1366.00 NIST
Inp 1379.00 NIST
Inp 1388.00 NIST
Inp 1381.00 NIST
Inp 1381.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1383.00 NIST
Inp 1374.00 NIST
Inp 1383.00 NIST
Inp 1385.00 NIST
Inp 1386.00 NIST
Inp 1386.00 NIST
Inp 1370.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1379.00 NIST
Inp 1385.00 NIST
Inp 1391.00 NIST
Inp 1379.00 NIST
Inp 1385.00 NIST
Inp 1377.00 NIST
Inp 1381.00 NIST
Inp Outlier 1361.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1385.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1387.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp Outlier 1345.00 NIST
Inp 1380.00 NIST
Inp 1372.00 NIST
Inp 1383.50 NIST
Inp 1384.00 NIST
Inp 1380.00 NIST
Inp 1389.00 NIST
Inp 1385.00 NIST
Inp 1386.00 NIST
Inp 1375.00 NIST
Inp 1383.00 NIST
Inp 1385.00 NIST
Inp 1372.00 NIST
Inp Outlier 1430.00 NIST
Inp 1389.00 NIST
Inp 1380.00 NIST
Inp 1390.00 NIST
Inp Outlier 1415.00 NIST
Inp 1386.00 NIST
Inp 1382.00 NIST
Inp 1367.00 NIST
Inp 1365.00 NIST
Inp 1379.00 NIST
Inp 1385.00 NIST
Inp 1380.00 NIST
Inp 1383.90 NIST
Inp 1396.00 NIST
Inp 1382.00 NIST
Inp 1405.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Inp 1378.00 NIST
Inp 1381.00 NIST
Inp 1381.00 NIST
Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1382.00 NIST
Inp 1381.00 NIST
Inp 1396.00 NIST
Inp 1398.00 NIST
Inp 1378.00 NIST
Inp 1378.00 NIST
Inp 1382.00 NIST
Inp Outlier 1406.00 NIST
Inp Outlier 1417.00 NIST
Inp 1379.00 NIST
Inp 1383.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1381.00 NIST
Inp Outlier 1417.00 NIST
Inp 1366.00 NIST
Inp 1376.00 NIST
Inp 1388.00 NIST
Inp 1385.00 NIST
Inp 1362.00 NIST
Inp 1390.00 NIST
Inp 1381.00 NIST
Inp 1385.00 NIST
Inp 1379.00 NIST
Inp 1394.00 NIST
Inp Outlier 1417.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
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Inp 1379.00 NIST
Inp Outlier 1418.00 NIST
Inp 1385.00 NIST
Inp 1383.00 NIST
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Inp 1385.00 NIST
Inp 1385.00 NIST
Inp 1391.00 NIST
Inp 1376.00 NIST
Inp 1381.00 NIST
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Inp 1385.00 NIST
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Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1384.00 NIST
Inp 1379.00 NIST
Inp Outlier 1415.00 NIST
Inp 1386.00 NIST
Inp 1384.00 NIST
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Inp 1385.00 NIST
Inp Outlier 1412.00 NIST
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Inp 1388.00 NIST
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Inp 1384.00 NIST
Inp 1388.00 NIST
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Inp 1388.00 NIST
Inp 1379.00 NIST
Inp 1388.00 NIST
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Inp 1387.00 NIST
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Inp 1379.00 NIST
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Inp 1384.00 NIST
Inp 1384.00 NIST
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Inp 1388.00 NIST
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Inp 1384.00 NIST
Inp 1383.00 NIST
Inp 1382.00 NIST
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Inp 1366.00 NIST
Inp 1379.00 NIST
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Inp Outlier 1406.00 NIST
Inp 1396.00 NIST
Inp 1379.00 NIST
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Inp 1385.00 NIST
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Inp 1381.00 NIST
Inp 1381.00 NIST
Inp 1385.00 NIST
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Inp Outlier 1406.00 NIST
Inp 1379.00 NIST
Inp Outlier 1339.00 NIST
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Inp 1375.00 NIST
Inp 1380.00 NIST
Inp 1391.00 NIST
Inp 1385.00 NIST
Inp 1388.00 NIST
Inp 1393.00 NIST
Inp 1389.00 NIST
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Inp 1374.00 NIST
Inp 1403.00 NIST
Inp 1386.00 NIST
Inp Outlier 1351.00 NIST
Inp 1363.00 NIST
Inp 1382.00 NIST
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Inp 1372.00 NIST
Inp 1381.00 NIST
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Inp 1365.00 NIST
Inp 1396.00 NIST
Inp 1378.00 NIST
Inp Outlier 1417.00 NIST
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I [1490.00; 1577.00]   Show Hide
I Outlier 1577.00 NIST
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I Outlier 1491.00 NIST
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I 1496.00 NIST
I Outlier 1574.00 NIST
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I Outlier 1556.00 NIST
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I 1518.00 NIST
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I Outlier 1490.00 NIST
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I 1496.00 NIST
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I 1535.00 NIST
I 1510.00 NIST
I 1512.00 NIST
I 1501.00 NIST
I 1530.00 NIST
I 1529.00 NIST
I 1527.00 NIST
I 1546.00 NIST
I 1526.00 NIST
Tboil 556.71 K Joback Calculated Property
Tc 769.30 K Joback Calculated Property
Tfus 323.21 K Joback Calculated Property
Vc 0.713 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [501.63; 619.46] J/mol×K [556.71; 769.30] Show Hide
Cp,gas 501.63 J/mol×K 556.71 Joback Calculated Property
Cp,gas 524.39 J/mol×K 592.14 Joback Calculated Property
Cp,gas 545.67 J/mol×K 627.57 Joback Calculated Property
Cp,gas 565.65 J/mol×K 663.00 Joback Calculated Property
Cp,gas 584.49 J/mol×K 698.44 Joback Calculated Property
Cp,gas 602.37 J/mol×K 733.87 Joback Calculated Property
Cp,gas 619.46 J/mol×K 769.30 Joback Calculated Property

Similar Compounds

1,2,3a,3b'a,4,5,6,6aa',6ba'-Decahydro-1a'-isopropyl-3aa'-methyl-6-methylenecyclobuta[1,2:3,4]dicyclopentene. Bourbonene. (E)-«beta»-Bourbonene. 1,5-di-epi-«beta»-Bourbonene. Dihydroisocaryophyllene. «beta»-Longipinene. (+)(-)-(E)-«beta»-caryophyllene. 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane. «beta»-Copaene. Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer. «beta»-Longipinene. Khusimene. Bourbon-11-ene. Kelsoene. «beta»-Pinene.

Find more compounds similar to (-)-«beta»-Bourbonene.

Sources

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