Chemical Properties of «alpha»-Copaene (CAS 3856-25-5)

«alpha»-Copaene

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InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
InChI Key
VLXDPFLIRFYIME-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1=CCC2C3C(C(C)C)CCC2(C)C13
Molecular Weight1
204.35
CAS
3856-25-5
Other Names
  • Copaene
  • Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer
  • Tricyclo[4.4.0.02,7]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)-
  • (-)-«alpha»-Copaene
  • Copaen
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st
  • Aglaiene
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-
  • 8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
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Physical Properties

Property Value Unit Source
Δf 242.55 kJ/mol Joback Calculated Property
Δfgas -125.10 kJ/mol Joback Calculated Property
Δfus 20.07 kJ/mol Joback Calculated Property
Δvap 47.69 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 2001.91 kPa Joback Calculated Property
Inp [1334.00; 1419.00]   Show Hide
Inp 1378.00 NIST
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Inp 1381.00 NIST
Inp Outlier 1410.00 NIST
Inp Outlier 1400.50 NIST
Inp Outlier 1410.00 NIST
Inp 1378.50 NIST
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Inp Outlier 1398.00 NIST
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Inp Outlier 1407.00 NIST
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Inp Outlier 1351.00 NIST
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Inp Outlier 1400.00 NIST
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Inp Outlier 1397.00 NIST
Inp 1382.00 NIST
Inp Outlier 1402.00 NIST
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Inp 1370.00 NIST
Inp Outlier 1353.00 NIST
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Inp Outlier 1355.00 NIST
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Inp Outlier 1416.80 NIST
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Inp Outlier 1338.00 NIST
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Inp Outlier 1349.00 NIST
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Inp Outlier 1355.00 NIST
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Inp Outlier 1347.00 NIST
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Inp Outlier 1397.00 NIST
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Inp Outlier 1353.00 NIST
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Inp 1375.70 NIST
Inp Outlier 1354.00 NIST
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Inp Outlier 1395.00 NIST
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Inp Outlier 1398.00 NIST
Inp Outlier 1412.00 NIST
Inp Outlier 1400.00 NIST
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Inp 1380.00 NIST
Inp Outlier 1395.00 NIST
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Inp Outlier 1419.00 NIST
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Inp Outlier 1397.00 NIST
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Inp Outlier 1349.00 NIST
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Inp Outlier 1344.00 NIST
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Inp Outlier 1413.00 NIST
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Inp Outlier 1335.00 NIST
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Inp Outlier 1349.00 NIST
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Inp Outlier 1405.00 NIST
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Inp Outlier 1405.00 NIST
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Inp Outlier 1402.00 NIST
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Inp Outlier 1399.00 NIST
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Inp Outlier 1404.00 NIST
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Inp 1371.00 NIST
Inp 1379.00 NIST
Inp 1369.00 NIST
Inp 1372.00 NIST
Inp Outlier 1339.00 NIST
Inp 1376.00 NIST
Inp 1372.00 NIST
Inp 1377.00 NIST
Inp 1378.00 NIST
Inp 1377.00 NIST
Inp 1365.00 NIST
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Inp 1374.00 NIST
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Inp 1369.00 NIST
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Inp 1369.00 NIST
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Inp 1364.00 NIST
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Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1374.00 NIST
Inp 1378.00 NIST
Inp 1384.00 NIST
Inp 1370.00 NIST
Inp 1380.00 NIST
Inp 1377.00 NIST
Inp 1368.00 NIST
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Inp 1375.00 NIST
Inp 1381.00 NIST
Inp 1371.00 NIST
Inp 1384.00 NIST
Inp 1365.00 NIST
Inp 1363.00 NIST
Inp 1386.00 NIST
Inp 1380.00 NIST
Inp 1372.00 NIST
Inp Outlier 1418.00 NIST
Inp 1376.00 NIST
Inp Outlier 1403.00 NIST
Inp 1375.00 NIST
Inp 1363.00 NIST
Inp 1383.00 NIST
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Inp 1376.00 NIST
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Inp 1379.00 NIST
Inp 1376.00 NIST
Inp 1368.00 NIST
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Inp 1366.00 NIST
Inp 1382.00 NIST
Inp 1360.00 NIST
Inp 1359.00 NIST
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Inp 1376.00 NIST
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Inp 1371.00 NIST
Inp 1391.00 NIST
Inp 1375.40 NIST
Inp 1370.00 NIST
Inp 1373.00 NIST
Inp 1370.00 NIST
Inp 1374.00 NIST
Inp Outlier 1402.00 NIST
Inp 1368.00 NIST
Inp 1387.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp 1360.00 NIST
Inp Outlier 1398.00 NIST
Inp 1384.00 NIST
Inp 1370.00 NIST
Inp 1369.00 NIST
Inp 1381.00 NIST
Inp 1373.00 NIST
Inp 1373.00 NIST
Inp 1373.00 NIST
Inp 1381.00 NIST
Inp 1372.00 NIST
Inp 1379.00 NIST
Inp 1380.00 NIST
Inp 1373.00 NIST
Inp 1379.00 NIST
Inp 1371.00 NIST
Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
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Inp 1372.00 NIST
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Inp 1372.00 NIST
Inp 1369.00 NIST
Inp 1390.00 NIST
Inp 1362.00 NIST
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Inp 1376.00 NIST
Inp 1375.00 NIST
Inp 1387.00 NIST
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Inp 1376.00 NIST
Inp 1374.00 NIST
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Inp 1377.00 NIST
Inp Outlier 1401.00 NIST
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Inp 1392.00 NIST
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Inp 1379.00 NIST
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Inp 1379.00 NIST
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Inp 1375.00 NIST
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Inp 1370.00 NIST
Inp 1379.00 NIST
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Inp 1377.00 NIST
Inp 1364.00 NIST
Inp 1365.00 NIST
Inp Outlier 1398.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1359.00 NIST
Inp 1379.00 NIST
Inp 1377.00 NIST
Inp 1380.00 NIST
Inp 1376.00 NIST
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Inp 1375.00 NIST
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Inp 1380.00 NIST
Inp 1375.00 NIST
Inp 1381.00 NIST
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Inp 1379.00 NIST
Inp 1367.00 NIST
Inp 1378.00 NIST
Inp 1377.00 NIST
Inp Outlier 1406.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Inp 1374.00 NIST
Inp 1379.00 NIST
Inp 1373.00 NIST
Inp 1376.00 NIST
Inp 1379.00 NIST
Inp 1376.00 NIST
Inp 1375.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Inp 1371.00 NIST
Inp 1384.00 NIST
Inp 1364.00 NIST
Inp 1380.00 NIST
Inp 1375.00 NIST
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Inp 1377.00 NIST
Inp 1376.00 NIST
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Inp 1382.00 NIST
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Inp 1360.00 NIST
Inp 1373.00 NIST
Inp 1379.00 NIST
Inp 1379.00 NIST
Inp 1375.00 NIST
Inp Outlier 1403.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
Inp 1374.00 NIST
Inp 1381.00 NIST
Inp 1373.00 NIST
Inp 1357.00 NIST
Inp 1377.00 NIST
Inp Outlier 1397.00 NIST
Inp 1377.00 NIST
Inp 1378.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Inp 1371.00 NIST
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Inp 1377.00 NIST
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Inp 1376.00 NIST
Inp 1369.00 NIST
Inp 1377.00 NIST
Inp 1363.00 NIST
Inp 1377.00 NIST
Inp 1373.50 NIST
Inp 1373.00 NIST
Inp 1380.00 NIST
Inp 1377.00 NIST
Inp 1375.00 NIST
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Inp 1383.00 NIST
Inp 1383.00 NIST
Inp 1381.00 NIST
Inp 1376.00 NIST
Inp 1376.00 NIST
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Inp 1379.00 NIST
Inp 1357.00 NIST
Inp 1376.00 NIST
Inp 1377.00 NIST
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Inp 1383.00 NIST
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Inp 1376.00 NIST
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Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1383.00 NIST
Inp Outlier 1354.00 NIST
Inp 1390.00 NIST
Inp 1374.00 NIST
Inp 1378.00 NIST
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Inp 1376.00 NIST
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Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1380.00 NIST
Inp 1376.00 NIST
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Inp 1390.00 NIST
Inp 1357.00 NIST
Inp 1369.00 NIST
Inp 1371.00 NIST
Inp 1366.00 NIST
Inp 1380.00 NIST
Inp 1377.00 NIST
Inp Outlier 1401.00 NIST
Inp 1375.00 NIST
Inp 1375.00 NIST
Inp 1381.00 NIST
Inp 1375.00 NIST
Inp 1378.00 NIST
Inp 1383.00 NIST
Inp 1374.00 NIST
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Inp 1374.00 NIST
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Inp 1375.00 NIST
Inp 1380.00 NIST
Inp 1375.00 NIST
Inp 1375.00 NIST
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Inp 1375.00 NIST
Inp 1369.00 NIST
Inp 1372.00 NIST
Inp 1382.00 NIST
Inp 1374.00 NIST
Inp 1374.00 NIST
Inp 1377.00 NIST
Inp 1371.00 NIST
Inp Outlier 1410.00 NIST
Inp Outlier 1398.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp 1372.00 NIST
Inp 1377.00 NIST
Inp 1378.00 NIST
Inp 1383.00 NIST
Inp Outlier 1353.00 NIST
Inp 1379.00 NIST
Inp 1366.00 NIST
Inp 1374.00 NIST
Inp 1373.00 NIST
Inp Outlier 1355.00 NIST
Inp 1368.00 NIST
Inp 1385.00 NIST
Inp Outlier 1334.00 NIST
Inp 1390.00 NIST
Inp 1380.00 NIST
Inp 1369.00 NIST
Inp 1371.00 NIST
Inp 1370.00 NIST
Inp 1363.00 NIST
Inp 1364.00 NIST
Inp 1360.00 NIST
Inp Outlier 1348.00 NIST
Inp 1387.00 NIST
Inp Outlier 1419.00 NIST
Inp 1389.00 NIST
Inp 1381.00 NIST
Inp 1388.00 NIST
Inp 1365.00 NIST
Inp Outlier 1344.00 NIST
Inp Outlier 1335.00 NIST
Inp 1362.00 NIST
Inp Outlier 1402.00 NIST
Inp 1367.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp Outlier 1403.00 NIST
Inp 1391.00 NIST
I [1450.00; 1537.00]   Show Hide
I Outlier 1537.00 NIST
I 1520.00 NIST
I 1522.00 NIST
I 1522.00 NIST
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I 1496.00 NIST
I 1513.00 NIST
I 1475.00 NIST
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I Outlier 1533.00 NIST
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I Outlier 1535.00 NIST
I 1482.00 NIST
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I Outlier 1454.00 NIST
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I Outlier 1457.00 NIST
I 1466.00 NIST
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I Outlier 1457.00 NIST
I 1466.00 NIST
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I Outlier 1451.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1479.00 NIST
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I 1489.00 NIST
I 1519.00 NIST
I 1499.00 NIST
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I Outlier 1536.00 NIST
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I 1493.00 NIST
I 1489.00 NIST
I 1481.00 NIST
I Outlier 1528.00 NIST
I 1502.00 NIST
I Outlier 1527.00 NIST
I 1490.00 NIST
I 1488.00 NIST
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I 1488.00 NIST
I Outlier 1536.00 NIST
I 1487.00 NIST
I 1467.00 NIST
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I 1459.00 NIST
I 1488.00 NIST
I Outlier 1454.00 NIST
I 1489.00 NIST
I 1482.00 NIST
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I 1493.00 NIST
I 1493.00 NIST
I 1473.00 NIST
I 1482.00 NIST
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I Outlier 1452.00 NIST
I 1518.00 NIST
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I 1466.00 NIST
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I Outlier 1534.00 NIST
I 1487.00 NIST
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I 1497.00 NIST
I Outlier 1525.00 NIST
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I Outlier 1531.00 NIST
I 1493.00 NIST
I 1509.00 NIST
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I Outlier 1453.00 NIST
I Outlier 1450.00 NIST
I Outlier 1454.00 NIST
I 1490.00 NIST
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I Outlier 1525.00 NIST
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I 1476.00 NIST
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I Outlier 1450.00 NIST
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I Outlier 1454.00 NIST
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I Outlier 1536.00 NIST
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Tboil 561.69 K Joback Calculated Property
Tc 775.53 K Joback Calculated Property
Tfus 322.81 K Joback Calculated Property
Vc 0.715 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.35; 620.07] J/mol×K [561.69; 775.53] Show Hide
Cp,gas 503.35 J/mol×K 561.69 Joback Calculated Property
Cp,gas 525.87 J/mol×K 597.33 Joback Calculated Property
Cp,gas 546.93 J/mol×K 632.97 Joback Calculated Property
Cp,gas 566.70 J/mol×K 668.61 Joback Calculated Property
Cp,gas 585.36 J/mol×K 704.25 Joback Calculated Property
Cp,gas 603.09 J/mol×K 739.89 Joback Calculated Property
Cp,gas 620.07 J/mol×K 775.53 Joback Calculated Property

Similar Compounds

Ylangene. trans-«alpha»-Copaene. Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-. Tricyclo[5.4.0.0^2^,^8]undec-9-ene, 2,6,6,9-tetramethyl-. Longipinene. (E)-Longipinene. trans-«alpha»-Bergamotene. «alpha»-trans-«beta»-Bergamotene. cis-«alpha»-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. cis-«alpha»-Bergamotene. 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl). (1R,4aR,8aR)-2,5,5,8a-Tetramethyl-4,5,6,7,8,8a-hexahydro-1H-1,4a-methanonaphthalene, rel-. (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. «alpha»-Pinene.

Find more compounds similar to «alpha»-Copaene.

Sources

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