Chemical Properties of 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)]- (CAS 13744-15-5)

1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)]-

PDF Excel Molecule Calculator
InChI
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m0/s1
InChI Key
FSRZGYRCMPZNJF-PBWBXLIUSA-N
Formula
C15H24
SMILES
C=C1CCC23C(C)CCC(C(C)C)C2C13
Molecular Weight1
204.35
CAS
13744-15-5
Other Names
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3a«alpha»,3b«alpha»,4,5,6,7-octahydro-4«alpha»-isopropyl-7«beta»-methyl-3-methylene-
  • «beta»-Cubebene
  • «beta»-Cuvebene
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3a«alpha»,3b«alpha»,4«alpha»,7«beta»,7aR*)-
  • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
  • beta cubebene
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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; 1437.00]   Show Hide
Inp 1389.00 NIST
Inp 1400.00 NIST
Inp 1385.00 NIST
Inp 1392.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp 1381.00 NIST
Inp 1395.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp 1390.00 NIST
Inp 1384.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1386.00 NIST
Inp 1378.00 NIST
Inp Outlier 1360.00 NIST
Inp Outlier 1360.00 NIST
Inp 1392.00 NIST
Inp 1372.00 NIST
Inp Outlier 1361.00 NIST
Inp 1389.00 NIST
Inp 1387.00 NIST
Inp 1387.00 NIST
Inp 1387.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1400.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1384.00 NIST
Inp 1391.00 NIST
Inp 1385.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp 1398.00 NIST
Inp 1387.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1381.00 NIST
Inp 1398.00 NIST
Inp 1381.00 NIST
Inp Outlier 1419.00 NIST
Inp Outlier 1426.00 NIST
Inp Outlier 1432.00 NIST
Inp 1391.00 NIST
Inp 1381.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1374.00 NIST
Inp 1390.00 NIST
Inp 1367.00 NIST
Inp Outlier 1415.00 NIST
Inp 1387.00 NIST
Inp 1386.00 NIST
Inp 1381.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1379.00 NIST
Inp 1391.00 NIST
Inp Outlier 1360.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1392.00 NIST
Inp 1390.00 NIST
Inp 1369.00 NIST
Inp 1381.00 NIST
Inp 1371.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1380.00 NIST
Inp 1391.00 NIST
Inp 1391.00 NIST
Inp 1372.00 NIST
Inp 1370.00 NIST
Inp 1367.00 NIST
Inp 1390.00 NIST
Inp 1370.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1394.00 NIST
Inp 1388.00 NIST
Inp 1378.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp Outlier 1428.00 NIST
Inp Outlier 1426.00 NIST
Inp Outlier 1361.00 NIST
Inp 1387.00 NIST
Inp 1392.00 NIST
Inp 1383.00 NIST
Inp 1392.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1392.00 NIST
Inp 1385.00 NIST
Inp 1371.00 NIST
Inp 1388.00 NIST
Inp 1381.00 NIST
Inp 1390.00 NIST
Inp Outlier 1415.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp Outlier 1420.00 NIST
Inp Outlier 1417.00 NIST
Inp 1394.00 NIST
Inp 1393.00 NIST
Inp 1394.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1394.00 NIST
Inp 1381.00 NIST
Inp 1388.00 NIST
Inp 1372.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1389.00 NIST
Inp 1392.00 NIST
Inp Outlier 1426.00 NIST
Inp Outlier 1434.00 NIST
Inp Outlier 1339.00 NIST
Inp 1383.00 NIST
Inp 1387.00 NIST
Inp 1378.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1392.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp 1394.00 NIST
Inp 1391.00 NIST
Inp 1397.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1386.00 NIST
Inp 1390.00 NIST
Inp 1383.00 NIST
Inp Outlier 1437.00 NIST
Inp 1388.00 NIST
Inp 1383.00 NIST
Inp 1380.00 NIST
Inp 1383.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1395.00 NIST
Inp 1387.00 NIST
Inp 1389.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1384.00 NIST
Inp 1378.00 NIST
Inp 1382.00 NIST
Inp 1384.00 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp Outlier 1350.00 NIST
Inp 1377.00 NIST
Inp 1387.00 NIST
Inp 1385.30 NIST
Inp 1390.00 NIST
Inp 1380.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1387.00 NIST
Inp 1392.00 NIST
Inp 1382.00 NIST
Inp 1389.00 NIST
Inp 1381.00 NIST
Inp 1395.00 NIST
Inp 1381.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1394.00 NIST
Inp 1372.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp Outlier 1434.00 NIST
Inp 1382.00 NIST
Inp 1409.00 NIST
Inp 1387.00 NIST
Inp 1397.00 NIST
Inp 1387.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp Outlier 1432.00 NIST
Inp 1390.00 NIST
Inp Outlier 1358.00 NIST
Inp 1377.00 NIST
Inp 1378.00 NIST
Inp 1387.00 NIST
Inp 1384.00 NIST
Inp 1386.00 NIST
Inp 1377.00 NIST
Inp 1382.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1395.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp Outlier 1423.00 NIST
Inp 1388.00 NIST
Inp 1364.00 NIST
Inp 1386.00 NIST
Inp 1390.00 NIST
Inp 1371.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1372.00 NIST
Inp 1386.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp Outlier 1352.00 NIST
Inp 1390.00 NIST
Inp Outlier 1423.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1381.00 NIST
Inp 1380.00 NIST
Inp 1388.00 NIST
Inp 1392.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1388.00 NIST
Inp 1380.00 NIST
Inp 1395.00 NIST
Inp 1383.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1391.00 NIST
Inp 1394.00 NIST
Inp 1387.00 NIST
Inp Outlier 1351.00 NIST
Inp Outlier 1422.00 NIST
Inp 1389.00 NIST
Inp 1377.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1372.00 NIST
Inp 1381.00 NIST
Inp 1386.00 NIST
Inp 1389.00 NIST
Inp 1387.00 NIST
Inp 1392.00 NIST
Inp 1388.00 NIST
Inp 1393.00 NIST
Inp 1375.00 NIST
Inp 1385.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp 1386.00 NIST
Inp 1389.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1384.00 NIST
Inp 1385.00 NIST
Inp 1381.00 NIST
Inp Outlier 1426.00 NIST
Inp Outlier 1420.00 NIST
Inp 1384.00 NIST
Inp 1381.00 NIST
Inp 1387.00 NIST
Inp 1392.00 NIST
Inp 1369.00 NIST
Inp 1388.00 NIST
Inp 1382.00 NIST
Inp 1389.00 NIST
Inp 1386.00 NIST
Inp 1392.00 NIST
Inp 1390.00 NIST
Inp 1385.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1385.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1381.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp Outlier 1343.00 NIST
Inp 1378.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1388.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1393.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1373.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1371.00 NIST
Inp Outlier 1418.00 NIST
Inp 1392.00 NIST
Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1388.00 NIST
Inp 1389.00 NIST
Inp 1389.00 NIST
Inp 1391.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1388.00 NIST
Inp 1373.00 NIST
Inp 1390.00 NIST
Inp 1390.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1384.00 NIST
Inp 1381.00 NIST
Inp 1388.00 NIST
Inp 1371.00 NIST
Inp 1379.00 NIST
Inp 1385.00 NIST
Inp 1381.00 NIST
Inp 1385.00 NIST
Inp 1387.00 NIST
Inp 1385.00 NIST
Inp 1385.00 NIST
Inp 1389.00 NIST
Inp 1385.00 NIST
Inp 1385.00 NIST
Inp 1390.00 NIST
Inp Outlier 1434.00 NIST
Inp 1390.00 NIST
Inp 1387.00 NIST
Inp Outlier 1437.00 NIST
Inp 1388.00 NIST
Inp 1378.00 NIST
Inp Outlier 1350.00 NIST
Inp 1380.00 NIST
Inp 1382.00 NIST
Inp Outlier 1358.00 NIST
Inp 1386.00 NIST
Inp Outlier 1423.00 NIST
Inp 1371.00 NIST
Inp Outlier 1352.00 NIST
Inp 1381.00 NIST
Inp 1391.00 NIST
Inp 1389.00 NIST
Inp 1384.00 NIST
Inp Outlier 1420.00 NIST
Inp 1383.00 NIST
Inp Outlier 1360.00 NIST
Inp 1393.00 NIST
Inp 1392.00 NIST
Inp 1379.00 NIST
Inp 1385.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
I [1508.00; 1589.00]   Show Hide
I 1560.00 NIST
I 1541.00 NIST
I 1560.00 NIST
I 1539.00 NIST
I 1531.00 NIST
I 1562.00 NIST
I 1548.00 NIST
I Outlier 1514.00 NIST
I Outlier 1516.00 NIST
I 1519.00 NIST
I 1545.00 NIST
I 1536.00 NIST
I 1546.00 NIST
I 1522.00 NIST
I 1527.00 NIST
I 1525.00 NIST
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I 1540.00 NIST
I 1542.00 NIST
I 1536.00 NIST
I 1548.00 NIST
I 1548.00 NIST
I Outlier 1509.00 NIST
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I Outlier 1508.00 NIST
I 1546.00 NIST
I 1524.00 NIST
I 1524.00 NIST
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I 1541.00 NIST
I 1524.00 NIST
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I 1540.00 NIST
I 1552.00 NIST
I 1539.00 NIST
I 1544.00 NIST
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I 1532.00 NIST
I 1547.00 NIST
I 1521.00 NIST
I 1521.00 NIST
I Outlier 1580.00 NIST
I 1542.00 NIST
I 1540.00 NIST
I 1543.00 NIST
I 1558.00 NIST
I 1566.00 NIST
I 1542.00 NIST
I 1540.00 NIST
I Outlier 1589.00 NIST
I 1539.00 NIST
I 1535.00 NIST
I 1548.00 NIST
I 1518.00 NIST
I 1533.00 NIST
I 1536.00 NIST
I 1529.00 NIST
I 1518.00 NIST
I 1524.00 NIST
I 1558.00 NIST
I 1518.00 NIST
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I 1545.00 NIST
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I 1544.00 NIST
I 1544.00 NIST
I 1549.00 NIST
I 1541.00 NIST
I 1539.00 NIST
I 1550.00 NIST
I 1519.00 NIST
I 1538.00 NIST
I 1549.00 NIST
I 1524.00 NIST
I 1553.00 NIST
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I 1550.00 NIST
I 1553.00 NIST
I 1550.00 NIST
I 1547.00 NIST
I 1553.00 NIST
I 1558.00 NIST
I 1547.00 NIST
I 1553.00 NIST
I 1553.00 NIST
I 1553.00 NIST
I 1553.00 NIST
I 1540.00 NIST
I 1547.00 NIST
I 1542.00 NIST
I 1560.00 NIST
I 1527.00 NIST
I 1535.00 NIST
I 1545.00 NIST
I 1534.00 NIST
I 1541.00 NIST
I 1565.00 NIST
I 1541.00 NIST
I 1533.00 NIST
I 1549.00 NIST
I 1543.00 NIST
I 1547.00 NIST
I 1547.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1522.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1545.00 NIST
I 1549.00 NIST
I 1547.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1538.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1549.00 NIST
I 1547.00 NIST
I 1547.00 NIST
I 1550.00 NIST
I 1553.00 NIST
I 1547.00 NIST
I 1547.00 NIST
I 1535.00 NIST
I 1538.00 NIST
I 1560.00 NIST
I 1547.00 NIST
I 1549.00 NIST
I 1538.00 NIST
I 1535.00 NIST
I 1542.00 NIST
I 1548.00 NIST
I 1518.00 NIST
I 1545.00 NIST
I 1541.00 NIST
I 1553.00 NIST
I 1540.00 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

6-epi-«beta»-Cubebene. cis-sabinene. Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-. «beta»-Microbiotene. Tamariscene. Alloaromadendrene. «alpha»-Aromadendrene. Aromandendrene. 1aR-1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene. «beta»-Aromadendrene. «beta»-aromadendrene. allo-9-aromadendrene. Aromadendrene. 1H-Cyclopropa[a]naphthalene, decahydro-1,1,3a-trimethyl-7-methylene-, [1aS-(1a«alpha»,3a«alpha»,7a«beta»,7b«alpha»)]-. Myli-4(15)-ene.

Find more compounds similar to 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)]-.

Sources

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