Chemical Properties of trans-«alpha»-Bergamotene (CAS 13474-59-4)

trans-«alpha»-Bergamotene

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InChI
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
InChI Key
YMBFCQPIMVLNIU-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC(C)=CCCC1(C)C2CC=C(C)C1C2
Molecular Weight1
204.35
CAS
13474-59-4
Other Names
  • «alpha»-trans-Bergamotene
  • (E)-«alpha»-Bergamotene
  • «alpha»-E-Bergamotene
  • 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
  • trans--Bergamotene
  • (E)-«alpha»-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-«alpha»-bergamotene)
  • «alpha»-trans-Bergamoptene
  • Bergamotene («alpha»-trans)
  • trans-«alpha»-bergamottene
  • Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
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Physical Properties

Property Value Unit Source
Δf 263.62 kJ/mol Joback Calculated Property
Δfgas -64.85 kJ/mol Joback Calculated Property
Δfus 23.27 kJ/mol Joback Calculated Property
Δvap 48.51 kJ/mol Joback Calculated Property
log10WS -4.87 Crippen Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
McVol 191.890 ml/mol McGowan Calculated Property
Pc 1918.62 kPa Joback Calculated Property
Inp [1401.00; 1460.00]   Show Hide
Inp 1431.00 NIST
Inp 1438.00 NIST
Inp 1438.00 NIST
Inp 1432.00 NIST
Inp 1439.00 NIST
Inp 1436.00 NIST
Inp 1437.00 NIST
Inp Outlier 1450.00 NIST
Inp 1437.00 NIST
Inp 1436.00 NIST
Inp Outlier 1452.00 NIST
Inp 1436.00 NIST
Inp 1434.00 NIST
Inp 1443.00 NIST
Inp 1424.00 NIST
Inp 1436.00 NIST
Inp 1437.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1435.00 NIST
Inp 1422.00 NIST
Inp 1434.00 NIST
Inp 1436.00 NIST
Inp 1438.00 NIST
Inp 1437.00 NIST
Inp 1431.00 NIST
Inp 1441.00 NIST
Inp 1433.00 NIST
Inp 1436.00 NIST
Inp 1434.00 NIST
Inp 1430.00 NIST
Inp 1430.00 NIST
Inp 1439.00 NIST
Inp 1441.00 NIST
Inp 1438.00 NIST
Inp 1424.00 NIST
Inp 1426.00 NIST
Inp 1433.00 NIST
Inp 1435.00 NIST
Inp 1437.00 NIST
Inp 1429.00 NIST
Inp 1427.00 NIST
Inp 1430.00 NIST
Inp 1438.00 NIST
Inp 1438.00 NIST
Inp 1433.00 NIST
Inp 1430.00 NIST
Inp 1433.00 NIST
Inp 1433.00 NIST
Inp 1427.00 NIST
Inp 1420.00 NIST
Inp 1436.00 NIST
Inp Outlier 1414.00 NIST
Inp 1435.00 NIST
Inp 1430.00 NIST
Inp 1436.00 NIST
Inp 1423.00 NIST
Inp 1427.00 NIST
Inp 1425.00 NIST
Inp 1427.00 NIST
Inp 1433.00 NIST
Inp 1428.00 NIST
Inp 1441.00 NIST
Inp 1436.00 NIST
Inp 1433.00 NIST
Inp 1434.00 NIST
Inp Outlier 1452.00 NIST
Inp 1436.00 NIST
Inp Outlier 1414.00 NIST
Inp 1439.00 NIST
Inp 1436.00 NIST
Inp 1441.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1432.00 NIST
Inp 1438.00 NIST
Inp 1440.00 NIST
Inp Outlier 1414.00 NIST
Inp 1431.00 NIST
Inp 1433.00 NIST
Inp 1434.00 NIST
Inp 1437.00 NIST
Inp 1427.00 NIST
Inp 1441.00 NIST
Inp 1435.00 NIST
Inp 1430.00 NIST
Inp 1432.00 NIST
Inp 1439.00 NIST
Inp 1429.00 NIST
Inp Outlier 1405.00 NIST
Inp 1436.00 NIST
Inp 1440.00 NIST
Inp 1432.00 NIST
Inp 1435.00 NIST
Inp 1439.00 NIST
Inp 1432.00 NIST
Inp 1434.00 NIST
Inp 1439.00 NIST
Inp 1443.00 NIST
Inp 1427.00 NIST
Inp 1427.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1440.00 NIST
Inp 1442.00 NIST
Inp Outlier 1454.00 NIST
Inp 1440.00 NIST
Inp 1436.00 NIST
Inp Outlier 1405.00 NIST
Inp 1436.00 NIST
Inp Outlier 1460.00 NIST
Inp 1430.00 NIST
Inp 1437.00 NIST
Inp 1430.00 NIST
Inp 1434.00 NIST
Inp 1432.00 NIST
Inp 1441.00 NIST
Inp 1441.00 NIST
Inp 1443.00 NIST
Inp 1430.00 NIST
Inp 1445.00 NIST
Inp 1446.00 NIST
Inp 1440.00 NIST
Inp 1436.00 NIST
Inp 1434.00 NIST
Inp 1439.00 NIST
Inp 1431.00 NIST
Inp 1431.00 NIST
Inp 1437.00 NIST
Inp 1427.00 NIST
Inp Outlier 1455.00 NIST
Inp 1437.00 NIST
Inp 1427.00 NIST
Inp 1437.00 NIST
Inp 1437.00 NIST
Inp 1435.00 NIST
Inp 1432.00 NIST
Inp 1431.00 NIST
Inp 1433.00 NIST
Inp 1438.00 NIST
Inp 1433.00 NIST
Inp 1431.00 NIST
Inp 1432.00 NIST
Inp 1436.00 NIST
Inp 1436.00 NIST
Inp 1446.00 NIST
Inp 1442.00 NIST
Inp 1442.00 NIST
Inp 1438.00 NIST
Inp 1439.00 NIST
Inp 1435.00 NIST
Inp 1437.00 NIST
Inp 1431.00 NIST
Inp 1436.00 NIST
Inp 1437.00 NIST
Inp 1432.00 NIST
Inp 1436.00 NIST
Inp 1437.00 NIST
Inp Outlier 1452.00 NIST
Inp 1437.00 NIST
Inp 1433.00 NIST
Inp 1432.00 NIST
Inp 1429.00 NIST
Inp 1419.00 NIST
Inp 1439.00 NIST
Inp 1439.00 NIST
Inp Outlier 1409.00 NIST
Inp 1435.00 NIST
Inp 1424.00 NIST
Inp 1435.00 NIST
Inp Outlier 1401.00 NIST
Inp 1428.00 NIST
Inp 1427.00 NIST
Inp 1432.00 NIST
Inp 1435.00 NIST
Inp 1432.00 NIST
Inp 1444.00 NIST
Inp 1433.00 NIST
Inp Outlier 1454.00 NIST
Inp Outlier 1416.00 NIST
Inp 1432.00 NIST
Inp 1435.00 NIST
Inp 1432.00 NIST
Inp 1423.00 NIST
Inp Outlier 1417.00 NIST
Inp 1439.00 NIST
Inp 1429.00 NIST
Inp 1431.00 NIST
Inp 1437.00 NIST
Inp 1427.00 NIST
Inp Outlier 1415.00 NIST
Inp 1434.00 NIST
Inp Outlier 1416.00 NIST
Inp 1440.00 NIST
Inp 1435.00 NIST
Inp 1441.00 NIST
Inp Outlier 1417.00 NIST
Inp 1431.00 NIST
Inp 1430.00 NIST
Inp 1435.00 NIST
Inp 1420.00 NIST
Inp 1435.00 NIST
Inp 1422.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1434.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1444.00 NIST
Inp 1437.00 NIST
Inp 1433.00 NIST
Inp 1436.00 NIST
Inp 1436.00 NIST
Inp 1435.00 NIST
Inp 1432.70 NIST
Inp 1436.00 NIST
Inp 1431.00 NIST
Inp 1432.00 NIST
Inp 1431.00 NIST
Inp 1431.00 NIST
Inp Outlier 1415.00 NIST
Inp 1419.00 NIST
Inp 1432.00 NIST
Inp 1434.00 NIST
Inp 1431.00 NIST
Inp 1434.00 NIST
Inp 1436.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1431.00 NIST
Inp 1440.00 NIST
Inp 1443.00 NIST
Inp 1434.00 NIST
Inp 1432.00 NIST
Inp 1435.00 NIST
Inp 1431.00 NIST
Inp 1440.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1434.00 NIST
Inp 1433.00 NIST
Inp Outlier 1417.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1432.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1439.00 NIST
Inp 1433.00 NIST
Inp Outlier 1415.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1440.00 NIST
Inp 1437.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1435.00 NIST
Inp 1442.00 NIST
Inp 1436.00 NIST
Inp 1420.00 NIST
Inp 1434.00 NIST
Inp 1433.00 NIST
Inp 1433.00 NIST
Inp 1434.00 NIST
Inp 1440.00 NIST
Inp 1434.00 NIST
Inp 1430.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1432.00 NIST
Inp 1434.00 NIST
Inp 1435.00 NIST
Inp Outlier 1417.00 NIST
Inp 1437.00 NIST
Inp 1436.00 NIST
Inp 1431.00 NIST
Inp 1441.00 NIST
Inp 1440.00 NIST
Inp 1427.00 NIST
Inp 1442.00 NIST
Inp 1429.00 NIST
Inp 1433.00 NIST
Inp Outlier 1416.00 NIST
Inp 1422.00 NIST
Inp 1438.00 NIST
Inp Outlier 1405.00 NIST
I [1536.00; 1614.00]   Show Hide
I Outlier 1536.00 NIST
I 1590.00 NIST
I 1584.00 NIST
I 1582.00 NIST
I 1580.00 NIST
I 1580.00 NIST
I 1585.00 NIST
I 1560.00 NIST
I 1580.00 NIST
I 1581.00 NIST
I 1587.00 NIST
I 1575.00 NIST
I 1573.00 NIST
I 1575.00 NIST
I 1580.00 NIST
I 1560.00 NIST
I 1560.00 NIST
I 1568.00 NIST
I 1582.00 NIST
I 1590.00 NIST
I 1589.00 NIST
I 1561.00 NIST
I 1576.00 NIST
I 1575.00 NIST
I 1565.00 NIST
I 1560.00 NIST
I 1580.00 NIST
I 1570.00 NIST
I 1561.00 NIST
I 1580.00 NIST
I 1580.00 NIST
I 1579.00 NIST
I 1582.00 NIST
I 1559.00 NIST
I Outlier 1609.00 NIST
I 1585.00 NIST
I 1575.00 NIST
I 1587.00 NIST
I 1577.00 NIST
I 1582.00 NIST
I 1577.00 NIST
I 1562.00 NIST
I 1584.00 NIST
I 1583.00 NIST
I 1585.00 NIST
I 1580.00 NIST
I 1564.00 NIST
I 1574.00 NIST
I 1595.00 NIST
I 1573.00 NIST
I 1583.00 NIST
I Outlier 1614.00 NIST
I 1577.00 NIST
I 1579.00 NIST
I 1580.00 NIST
I 1580.00 NIST
I 1560.00 NIST
I Outlier 1610.00 NIST
I Outlier 1611.00 NIST
I Outlier 1536.00 NIST
I 1592.00 NIST
I 1568.00 NIST
I 1568.00 NIST
I 1585.00 NIST
I 1568.00 NIST
I 1551.00 NIST
Tboil 564.10 K Joback Calculated Property
Tc 771.48 K Joback Calculated Property
Tfus 305.07 K Joback Calculated Property
Vc 0.746 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [496.98; 604.03] J/mol×K [564.10; 771.48] Show Hide
Cp,gas 496.98 J/mol×K 564.10 Joback Calculated Property
Cp,gas 517.47 J/mol×K 598.66 Joback Calculated Property
Cp,gas 536.69 J/mol×K 633.23 Joback Calculated Property
Cp,gas 554.80 J/mol×K 667.79 Joback Calculated Property
Cp,gas 571.95 J/mol×K 702.35 Joback Calculated Property
Cp,gas 588.31 J/mol×K 736.92 Joback Calculated Property
Cp,gas 604.03 J/mol×K 771.48 Joback Calculated Property

Similar Compounds

cis-«alpha»-Bergamotene. «alpha»-trans-«beta»-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl). cis-«alpha»-Bergamotene. «alpha»-Pinene. (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. (E)-Longipinene. Longipinene. 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-. trans-«alpha»-Copaene. Ylangene. «alpha»-Copaene.

Find more compounds similar to trans-«alpha»-Bergamotene.

Sources

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