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»)]-

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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
Δf 223.26 kJ/mol Joback Calculated Property
Δfgas -137.45 kJ/mol Joback Calculated Property
Δfus 21.10 kJ/mol Joback Calculated Property
Δvap 48.91 kJ/mol Joback Calculated Property
log10WS -4.43 Crippen Calculated Property
logPoct/wat 4.415 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Pc 2005.50 kPa Joback 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
I [1501.00; 1558.00]   Show Hide
I Outlier 1558.00 NIST
I 1549.00 NIST
I 1529.00 NIST
I 1528.00 NIST
I 1518.00 NIST
I 1519.00 NIST
I 1511.00 NIST
I 1538.00 NIST
I 1520.00 NIST
I 1530.00 NIST
I 1518.00 NIST
I 1527.00 NIST
I 1524.00 NIST
I 1519.00 NIST
I 1523.00 NIST
I 1525.00 NIST
I 1507.00 NIST
I 1535.00 NIST
I 1516.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1529.00 NIST
I 1530.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1511.00 NIST
I 1527.00 NIST
I 1527.00 NIST
I 1526.00 NIST
I 1520.00 NIST
I 1540.00 NIST
I 1523.00 NIST
I 1521.00 NIST
I 1520.00 NIST
I 1535.00 NIST
I 1534.00 NIST
I 1507.00 NIST
I 1525.00 NIST
I 1519.00 NIST
I 1518.00 NIST
I 1527.00 NIST
I 1520.00 NIST
I 1535.00 NIST
I 1538.00 NIST
I 1525.00 NIST
I 1530.00 NIST
I 1529.00 NIST
I 1529.00 NIST
I 1527.00 NIST
I 1545.00 NIST
I 1544.00 NIST
I 1545.00 NIST
I Outlier 1501.00 NIST
I 1529.00 NIST
I 1545.00 NIST
I 1545.00 NIST
I 1545.00 NIST
I 1545.00 NIST
I 1545.00 NIST
I 1545.00 NIST
I 1525.00 NIST
I Outlier 1501.00 NIST
I 1527.00 NIST
I 1528.00 NIST
I 1526.00 NIST
I 1544.00 NIST
I 1527.00 NIST
I 1529.00 NIST
I 1529.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1529.00 NIST
I 1528.00 NIST
I 1510.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1544.00 NIST
I 1529.00 NIST
I 1528.00 NIST
I 1544.00 NIST
I 1512.00 NIST
I 1515.00 NIST
I 1528.00 NIST
I 1538.00 NIST
Tboil 571.38 K Joback Calculated Property
Tc 789.11 K Joback Calculated Property
Tfus 346.81 K Joback Calculated Property
Vc 0.713 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [505.59; 624.00] J/mol×K [571.38; 789.11] Show Hide
Cp,gas 505.59 J/mol×K 571.38 Joback Calculated Property
Cp,gas 528.29 J/mol×K 607.67 Joback Calculated Property
Cp,gas 549.58 J/mol×K 643.96 Joback Calculated Property
Cp,gas 569.63 J/mol×K 680.24 Joback Calculated Property
Cp,gas 588.60 J/mol×K 716.53 Joback Calculated Property
Cp,gas 606.66 J/mol×K 752.82 Joback Calculated Property
Cp,gas 624.00 J/mol×K 789.11 Joback Calculated Property

Similar Compounds

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»)]-. African-2(6)-ene. 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»)]-. Viridiflorine. Aromadendra-4,10(14)-diene. Ginsinsene. epi-Bicyclophellandrene. Tricyclo[6.3.0.0(2,4)]undec-8-ene, 3,3,7,11-tetramethyl-. 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.

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