Chemical Properties of 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«alpha»,4a«beta»,7b«alpha»)]- (CAS 489-40-7)

1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«alpha»,4a«beta»,7b«alpha»)]-

InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3
InChI Key
SPCXZDDGSGTVAW-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1=C2C(CC1)C(C)CCC1C2C1(C)C
Molecular Weight1
204.35
CAS
489-40-7
Other Names
  • 1H-Cycloprop[e]azulene, 1a«beta»,2,3,4,4a«alpha»,5,6,7b«beta»-octahydro-1,1,4«beta»,7-tetramethyl-
  • «alpha»-Gurjunene
  • (-)-«alpha»-Gurjunene
  • 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1a«alpha»,4«alpha»,4a«beta»,7b«alpha»)-
  • «alpha»-Gurgujene
  • «alpha»-Gurjenene
  • «alpha»-gurjinene
  • [1aR-(1a«alpha»,4«alpha»,4a«beta»,7b«alpha»)]-1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
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Physical Properties

Property Value Unit Source
ΔfusH° 21.10 kJ/mol Joback Calculated Property
logPoct/wat 4.415 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1376.00; 1449.00]   Show Hide
Inp 1410.00 NIST
Inp 1423.00 NIST
Inp 1413.00 NIST
Inp 1408.00 NIST
Inp 1410.00 NIST
Inp Outlier 1434.20 NIST
Inp 1419.00 NIST
Inp 1410.00 NIST
Inp 1411.00 NIST
Inp 1406.00 NIST
Inp 1411.00 NIST
Inp 1408.00 NIST
Inp 1401.00 NIST
Inp Outlier 1382.00 NIST
Inp 1409.00 NIST
Inp 1398.00 NIST
Inp 1403.00 NIST
Inp 1402.00 NIST
Inp 1402.00 NIST
Inp 1404.00 NIST
Inp 1426.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1419.00 NIST
Inp Outlier 1436.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1413.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp 1407.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp 1408.00 NIST
Inp 1400.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1412.00 NIST
Inp 1408.00 NIST
Inp 1410.00 NIST
Inp 1407.00 NIST
Inp Outlier 1381.00 NIST
Inp 1402.00 NIST
Inp 1402.00 NIST
Inp 1424.00 NIST
Inp 1425.00 NIST
Inp 1410.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1407.00 NIST
Inp 1407.00 NIST
Inp 1404.00 NIST
Inp 1402.00 NIST
Inp 1401.00 NIST
Inp 1393.00 NIST
Inp 1410.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1392.00 NIST
Inp 1412.00 NIST
Inp 1406.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1404.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1402.00 NIST
Inp 1401.00 NIST
Inp 1401.00 NIST
Inp 1406.00 NIST
Inp 1409.00 NIST
Inp 1394.00 NIST
Inp 1410.00 NIST
Inp 1405.00 NIST
Inp 1409.00 NIST
Inp 1422.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1406.00 NIST
Inp 1403.00 NIST
Inp 1420.00 NIST
Inp 1422.00 NIST
Inp 1412.00 NIST
Inp 1393.00 NIST
Inp 1409.00 NIST
Inp 1420.00 NIST
Inp 1409.00 NIST
Inp 1425.00 NIST
Inp 1413.00 NIST
Inp 1410.00 NIST
Inp 1421.00 NIST
Inp Outlier 1443.00 NIST
Inp Outlier 1449.00 NIST
Inp 1410.00 NIST
Inp 1413.00 NIST
Inp 1406.00 NIST
Inp 1418.00 NIST
Inp 1411.00 NIST
Inp 1419.00 NIST
Inp 1419.00 NIST
Inp 1408.00 NIST
Inp 1412.00 NIST
Inp 1393.00 NIST
Inp 1397.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1419.00 NIST
Inp 1412.00 NIST
Inp 1407.00 NIST
Inp 1399.00 NIST
Inp 1400.00 NIST
Inp 1398.00 NIST
Inp Outlier 1431.00 NIST
Inp 1408.00 NIST
Inp 1413.00 NIST
Inp 1412.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1417.00 NIST
Inp 1410.00 NIST
Inp 1406.00 NIST
Inp 1410.00 NIST
Inp Outlier 1378.00 NIST
Inp 1400.00 NIST
Inp 1402.00 NIST
Inp 1414.00 NIST
Inp 1411.00 NIST
Inp 1406.00 NIST
Inp 1410.00 NIST
Inp 1410.00 NIST
Inp 1403.00 NIST
Inp 1394.00 NIST
Inp 1410.00 NIST
Inp 1414.00 NIST
Inp 1403.00 NIST
Inp 1407.00 NIST
Inp 1410.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp Outlier 1445.00 NIST
Inp 1406.00 NIST
Inp 1395.00 NIST
Inp Outlier 1445.00 NIST
Inp 1413.00 NIST
Inp 1412.00 NIST
Inp 1406.00 NIST
Inp 1410.00 NIST
Inp 1406.00 NIST
Inp 1414.00 NIST
Inp 1416.00 NIST
Inp 1409.00 NIST
Inp Outlier 1376.00 NIST
Inp 1404.00 NIST
Inp 1403.00 NIST
Inp 1406.00 NIST
Inp 1411.00 NIST
Inp 1410.00 NIST
Inp 1405.00 NIST
Inp 1405.00 NIST
Inp Outlier 1382.00 NIST
Inp 1409.00 NIST
Inp 1399.00 NIST
Inp 1404.00 NIST
Inp 1409.00 NIST
Inp 1405.00 NIST
Inp 1409.00 NIST
Inp 1390.00 NIST
Inp 1406.00 NIST
Inp 1405.00 NIST
Inp 1407.00 NIST
Inp 1410.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1414.00 NIST
Inp 1412.00 NIST
Inp 1407.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1410.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1407.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp Outlier 1388.00 NIST
Inp 1399.00 NIST
Inp 1416.00 NIST
Inp 1406.00 NIST
Inp 1410.00 NIST
Inp 1411.00 NIST
Inp 1410.00 NIST
Inp 1422.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1403.00 NIST
Inp 1410.00 NIST
Inp 1406.00 NIST
Inp 1402.00 NIST
Inp 1407.00 NIST
Inp 1407.00 NIST
Inp 1414.00 NIST
Inp 1399.00 NIST
Inp 1401.00 NIST
Inp 1400.00 NIST
Inp 1408.00 NIST
Inp 1400.00 NIST
Inp Outlier 1436.00 NIST
Inp 1403.00 NIST
Inp 1406.00 NIST
Inp Outlier 1443.00 NIST
Inp Outlier 1383.00 NIST
Inp 1404.00 NIST
Inp 1408.00 NIST
Inp 1413.00 NIST
Inp 1401.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1403.00 NIST
Inp 1422.00 NIST
Inp 1409.00 NIST
Inp 1394.00 NIST
Inp 1396.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1400.00 NIST
Inp 1406.00 NIST
Inp 1403.00 NIST
Inp 1410.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1400.00 NIST
Inp 1406.00 NIST
Inp Outlier 1385.00 NIST
Inp 1402.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1410.00 NIST
Inp 1404.00 NIST
Inp 1415.00 NIST
Inp Outlier 1378.00 NIST
Inp 1409.00 NIST
Inp 1400.00 NIST
Inp 1413.00 NIST
Inp 1410.00 NIST
Inp 1410.00 NIST
Inp 1409.00 NIST
Inp 1404.00 NIST
Inp 1402.00 NIST
Inp 1400.00 NIST
Inp 1406.00 NIST
Inp 1408.00 NIST
Inp 1402.00 NIST
Inp 1400.00 NIST
Inp 1400.00 NIST
Inp 1400.00 NIST
Inp 1410.00 NIST
Inp 1408.00 NIST
Inp Outlier 1436.00 NIST
Inp 1404.00 NIST
Inp 1409.00 NIST
Inp 1394.00 NIST
Inp 1406.00 NIST
Inp 1400.00 NIST
Inp 1415.00 NIST
Inp 1410.00 NIST
Ip [1501.00; 1558.00]   Show Hide
Ip Outlier 1558.00 NIST
Ip 1549.00 NIST
Ip 1529.00 NIST
Ip 1528.00 NIST
Ip 1518.00 NIST
Ip 1519.00 NIST
Ip 1511.00 NIST
Ip 1538.00 NIST
Ip 1520.00 NIST
Ip 1530.00 NIST
Ip 1518.00 NIST
Ip 1527.00 NIST
Ip 1524.00 NIST
Ip 1519.00 NIST
Ip 1523.00 NIST
Ip 1525.00 NIST
Ip 1507.00 NIST
Ip 1535.00 NIST
Ip 1516.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1529.00 NIST
Ip 1530.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1511.00 NIST
Ip 1527.00 NIST
Ip 1527.00 NIST
Ip 1526.00 NIST
Ip 1520.00 NIST
Ip 1540.00 NIST
Ip 1523.00 NIST
Ip 1521.00 NIST
Ip 1520.00 NIST
Ip 1535.00 NIST
Ip 1534.00 NIST
Ip 1507.00 NIST
Ip 1525.00 NIST
Ip 1519.00 NIST
Ip 1518.00 NIST
Ip 1527.00 NIST
Ip 1520.00 NIST
Ip 1535.00 NIST
Ip 1538.00 NIST
Ip 1525.00 NIST
Ip 1530.00 NIST
Ip 1529.00 NIST
Ip 1529.00 NIST
Ip 1527.00 NIST
Ip 1545.00 NIST
Ip 1544.00 NIST
Ip 1545.00 NIST
Ip Outlier 1501.00 NIST
Ip 1529.00 NIST
Ip 1545.00 NIST
Ip 1545.00 NIST
Ip 1545.00 NIST
Ip 1545.00 NIST
Ip 1545.00 NIST
Ip 1545.00 NIST
Ip 1525.00 NIST
Ip Outlier 1501.00 NIST
Ip 1527.00 NIST
Ip 1528.00 NIST
Ip 1526.00 NIST
Ip 1544.00 NIST
Ip 1527.00 NIST
Ip 1529.00 NIST
Ip 1529.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1529.00 NIST
Ip 1528.00 NIST
Ip 1510.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1544.00 NIST
Ip 1529.00 NIST
Ip 1528.00 NIST
Ip 1544.00 NIST
Ip 1512.00 NIST
Ip 1515.00 NIST
Ip 1528.00 NIST
Ip 1535.00 NIST
Ip 1518.00 NIST
Ip 1525.00 NIST
Ip 1545.00 NIST
Ip 1526.00 NIST
Ip 1538.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [242.81; 719.23] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.73450e+02
Coefficient B1.92628e+00
Coefficient C-1.63500e-03
Coefficient D6.01400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 242.81 J/mol×K 273.00 Calculated Property
Cp,gas 330.02 J/mol×K 353.78 Calculated Property
Cp,gas 404.23 J/mol×K 434.56 Calculated Property
Cp,gas 467.33 J/mol×K 515.33 Calculated Property
Cp,gas 521.23 J/mol×K 596.11 Calculated Property
Cp,gas 567.82 J/mol×K 676.89 Calculated Property
Cp,gas 609.02 J/mol×K 757.67 Calculated Property
Cp,gas 646.72 J/mol×K 838.44 Calculated Property
Cp,gas 682.82 J/mol×K 919.22 Calculated Property
Cp,gas 719.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

«iota»-Gurjunene. isoledene. 1H-Cyclopropa[a]naphthalene, 1a,2,3,3a,4,5,6,7b-octahydro-1,1,3a,7-tetramethyl-, [1aR-(1a«alpha»,3a«alpha»,7b«alpha»)]-. Viridiflorine. 1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-. African-2(6)-ene. Aromadendra-4,10(14)-diene. Ginsinsene. epi-Bicyclophellandrene. 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene. cis-4-methylcarene. 4-methyl-2-caren. .alpha.-Maaliene. fusicoccadiene. 2-Carene.

Find more compounds similar to 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«alpha»,4a«beta»,7b«alpha»)]-.

Sources

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