Chemical Properties of «alpha»-Cubebene (CAS 17699-14-8)

«alpha»-Cubebene

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InChI
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
InChI Key
XUEHVOLRMXNRKQ-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1=CCC23C(C)CCC(C(C)C)C2C13
Molecular Weight1
204.35
CAS
17699-14-8
Other Names
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)-(-)-]
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a«alpha»,3b«alpha»,4,5,6,7-hexahydro-4«alpha»-isopropyl-3,7«beta»-dimethyl-, (-)-
  • (-)-«alpha»-Cubebene
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)]-
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3a«alpha»,3b«alpha»,4«alpha»,7«beta»,7aR*)-(-)-
  • 4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzene-, (3aS,3bR,4S,7R,7aR)-
  • alpha-Cubebene
  • «alpha»-Cubenene
  • «alpha»-Cubeben
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
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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 [1314.00; 1400.00]   Show Hide
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Inp 1361.00 NIST
Inp 1346.00 NIST
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Inp 1354.00 NIST
Inp 1353.60 NIST
Inp 1349.00 NIST
Inp 1339.00 NIST
Inp 1347.00 NIST
Inp Outlier 1396.00 NIST
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Inp 1351.00 NIST
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Inp Outlier 1382.00 NIST
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Inp 1348.00 NIST
Inp Outlier 1381.20 NIST
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Inp 1352.00 NIST
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Inp 1351.00 NIST
Inp Outlier 1323.00 NIST
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Inp 1342.00 NIST
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Inp 1344.00 NIST
Inp Outlier 1379.90 NIST
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Inp Outlier 1328.00 NIST
Inp Outlier 1325.00 NIST
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Inp 1352.00 NIST
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Inp 1373.90 NIST
Inp Outlier 1380.30 NIST
Inp Outlier 1384.50 NIST
Inp 1346.00 NIST
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Inp 1350.00 NIST
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Inp 1349.00 NIST
Inp Outlier 1322.00 NIST
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Inp Outlier 1381.00 NIST
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Inp Outlier 1376.00 NIST
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Inp Outlier 1390.00 NIST
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Inp Outlier 1382.00 NIST
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Inp Outlier 1319.00 NIST
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Inp Outlier 1375.00 NIST
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Inp Outlier 1386.00 NIST
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Inp Outlier 1314.00 NIST
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Inp Outlier 1385.00 NIST
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Inp Outlier 1325.00 NIST
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Inp Outlier 1382.00 NIST
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Inp Outlier 1400.00 NIST
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Inp Outlier 1377.00 NIST
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Inp 1357.00 NIST
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Inp 1351.00 NIST
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Inp 1351.00 NIST
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Inp 1343.00 NIST
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Inp Outlier 1381.00 NIST
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Inp Outlier 1381.00 NIST
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Inp 1365.00 NIST
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Inp Outlier 1392.00 NIST
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Inp Outlier 1381.00 NIST
Inp 1347.00 NIST
Inp 1357.00 NIST
Inp 1351.00 NIST
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Inp 1355.00 NIST
Inp 1342.00 NIST
Inp Outlier 1381.00 NIST
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Inp 1355.00 NIST
Inp 1336.00 NIST
Inp Outlier 1381.00 NIST
Inp Outlier 1382.00 NIST
Inp 1345.00 NIST
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Inp 1365.00 NIST
Inp 1366.00 NIST
Inp 1348.20 NIST
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Inp Outlier 1383.00 NIST
Inp 1344.00 NIST
Inp Outlier 1381.00 NIST
Inp Outlier 1376.00 NIST
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Inp 1344.00 NIST
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Inp 1346.00 NIST
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Inp 1344.00 NIST
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Inp 1351.00 NIST
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Inp 1342.00 NIST
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Inp 1371.00 NIST
Inp 1351.00 NIST
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Inp 1349.00 NIST
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Inp 1351.00 NIST
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Inp 1350.00 NIST
Inp 1362.00 NIST
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Inp 1350.00 NIST
Inp Outlier 1381.00 NIST
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Inp 1351.00 NIST
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Inp 1351.00 NIST
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Inp 1354.00 NIST
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Inp 1342.00 NIST
Inp Outlier 1386.00 NIST
Inp Outlier 1385.00 NIST
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Inp Outlier 1381.00 NIST
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Inp Outlier 1379.90 NIST
Inp Outlier 1380.30 NIST
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I 1451.00 NIST
I 1474.00 NIST
I 1456.00 NIST
I 1460.00 NIST
I 1457.00 NIST
I 1442.00 NIST
I 1459.00 NIST
I 1457.00 NIST
I 1455.00 NIST
I 1442.00 NIST
I 1463.00 NIST
I 1441.00 NIST
I 1468.00 NIST
I 1453.00 NIST
I 1470.00 NIST
I 1462.00 NIST
I 1458.00 NIST
I 1451.00 NIST
I 1446.00 NIST
I 1469.00 NIST
I 1480.00 NIST
I 1475.00 NIST
I 1479.00 NIST
I Outlier 1431.00 NIST
I 1465.00 NIST
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

6-epi-«alpha»-Cubebene. Cubebene. (1R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene. (1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene. 7-epi-Sesquithujene. trans-Thujene. Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-. «alpha»-Maaliene. 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene. Tricyclo[6.3.0.0(2,4)]undec-8-ene, 3,3,7,11-tetramethyl-. (E)-sesquithujen-12-al. (E)-Thujopsene. cis-Thujopsene. anastreptene. Dehydroaromadendrene.

Find more compounds similar to «alpha»-Cubebene.

Sources

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