Chemical Properties of 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]- (CAS 469-61-4)

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-

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InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1
InChI Key
IRAQOCYXUMOFCW-KYEXWDHISA-N
Formula
C15H24
SMILES
CC1=CCC23CC1C(C)(C)C2CCC3C
Molecular Weight1
204.35
CAS
469-61-4
Other Names
  • Cedr-8-ene
  • «alpha»-Cedrene
  • (-)-«alpha»-Cedrene
  • [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
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Physical Properties

Property Value Unit Source
Δf 227.40 kJ/mol Joback Calculated Property
Δfgas -110.74 kJ/mol Joback Calculated Property
Δfus 15.19 kJ/mol Joback Calculated Property
Δvap 47.10 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 2117.78 kPa Joback Calculated Property
Inp [1372.00; 1444.00]   Show Hide
Inp 1433.40 NIST
Inp 1393.00 NIST
Inp 1392.30 NIST
Inp 1403.30 NIST
Inp 1393.00 NIST
Inp 1431.00 NIST
Inp 1414.00 NIST
Inp 1403.00 NIST
Inp 1408.00 NIST
Inp 1405.00 NIST
Inp 1404.00 NIST
Inp 1412.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1415.00 NIST
Inp 1398.00 NIST
Inp 1434.00 NIST
Inp 1414.00 NIST
Inp 1414.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp Outlier 1386.00 NIST
Inp 1405.00 NIST
Inp 1411.00 NIST
Inp 1414.00 NIST
Inp 1419.00 NIST
Inp 1419.00 NIST
Inp 1415.00 NIST
Inp 1404.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1412.00 NIST
Inp 1403.00 NIST
Inp 1434.00 NIST
Inp 1422.00 NIST
Inp 1409.00 NIST
Inp 1396.00 NIST
Inp 1406.00 NIST
Inp 1411.00 NIST
Inp 1415.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1414.00 NIST
Inp 1411.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1407.00 NIST
Inp 1408.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1435.00 NIST
Inp Outlier 1438.00 NIST
Inp 1409.00 NIST
Inp 1422.00 NIST
Inp 1423.00 NIST
Inp 1416.70 NIST
Inp 1413.00 NIST
Inp Outlier 1383.10 NIST
Inp 1396.90 NIST
Inp 1436.00 NIST
Inp 1421.00 NIST
Inp 1415.00 NIST
Inp 1407.00 NIST
Inp 1412.00 NIST
Inp 1410.00 NIST
Inp 1412.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1436.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp 1413.00 NIST
Inp 1413.00 NIST
Inp 1408.00 NIST
Inp 1420.00 NIST
Inp Outlier 1438.00 NIST
Inp 1410.00 NIST
Inp 1413.00 NIST
Inp 1397.00 NIST
Inp 1414.00 NIST
Inp 1430.00 NIST
Inp 1434.00 NIST
Inp 1405.00 NIST
Inp 1389.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1405.00 NIST
Inp 1412.00 NIST
Inp 1412.00 NIST
Inp 1408.00 NIST
Inp 1421.00 NIST
Inp 1409.00 NIST
Inp Outlier 1444.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1397.00 NIST
Inp 1409.00 NIST
Inp 1418.00 NIST
Inp 1394.00 NIST
Inp 1408.00 NIST
Inp 1410.00 NIST
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1394.00 NIST
Inp 1389.00 NIST
Inp 1409.00 NIST
Inp 1393.00 NIST
Inp 1433.00 NIST
Inp 1410.00 NIST
Inp 1398.00 NIST
Inp 1420.00 NIST
Inp 1411.00 NIST
Inp 1435.00 NIST
Inp 1407.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1434.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1411.00 NIST
Inp 1410.00 NIST
Inp 1419.00 NIST
Inp 1409.00 NIST
Inp 1416.00 NIST
Inp 1413.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp Outlier 1383.00 NIST
Inp 1415.00 NIST
Inp 1410.00 NIST
Inp Outlier 1372.00 NIST
Inp 1432.00 NIST
Inp 1412.00 NIST
Inp 1411.00 NIST
Inp 1412.00 NIST
Inp Outlier 1386.00 NIST
Inp 1410.00 NIST
Inp Outlier 1383.10 NIST
Inp 1400.00 NIST
Inp 1406.00 NIST
Inp 1407.00 NIST
Inp 1410.00 NIST
Inp 1436.00 NIST
Inp 1415.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp Outlier 1438.00 NIST
Inp 1430.00 NIST
Inp 1390.00 NIST
Inp 1421.00 NIST
Inp 1397.00 NIST
Inp 1410.00 NIST
Inp 1389.00 NIST
Inp 1398.00 NIST
Inp 1436.00 NIST
Inp 1414.00 NIST
Inp 1416.70 NIST
I [1542.00; 1620.00]   Show Hide
I 1598.00 NIST
I 1598.00 NIST
I 1574.00 NIST
I 1566.00 NIST
I 1565.00 NIST
I 1568.00 NIST
I 1570.00 NIST
I 1571.00 NIST
I 1579.00 NIST
I 1565.00 NIST
I 1562.00 NIST
I 1574.00 NIST
I 1599.00 NIST
I 1576.00 NIST
I 1600.00 NIST
I 1587.00 NIST
I 1574.00 NIST
I 1563.00 NIST
I 1608.00 NIST
I 1571.00 NIST
I 1582.00 NIST
I 1582.00 NIST
I 1572.00 NIST
I 1572.00 NIST
I 1556.00 NIST
I 1611.00 NIST
I 1600.00 NIST
I 1599.00 NIST
I 1577.00 NIST
I 1600.00 NIST
I 1582.00 NIST
I 1601.00 NIST
I 1565.00 NIST
I 1578.00 NIST
I 1578.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1568.00 NIST
I 1562.00 NIST
I Outlier 1545.00 NIST
I 1568.00 NIST
I Outlier 1542.00 NIST
I 1577.00 NIST
I 1577.00 NIST
I Outlier 1620.00 NIST
I 1577.00 NIST
I 1577.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1600.00 NIST
I 1566.00 NIST
I 1579.00 NIST
I 1576.00 NIST
I 1598.00 NIST
I 1587.00 NIST
I 1582.00 NIST
I 1611.00 NIST
Tboil 566.64 K Joback Calculated Property
Tc 792.17 K Joback Calculated Property
Tfus 358.19 K Joback Calculated Property
Vc 0.711 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.55; 623.74] J/mol×K [566.64; 792.17] Show Hide
Cp,gas 503.55 J/mol×K 566.64 Joback Calculated Property
Cp,gas 526.55 J/mol×K 604.23 Joback Calculated Property
Cp,gas 547.97 J/mol×K 641.82 Joback Calculated Property
Cp,gas 568.10 J/mol×K 679.41 Joback Calculated Property
Cp,gas 587.25 J/mol×K 716.99 Joback Calculated Property
Cp,gas 605.70 J/mol×K 754.58 Joback Calculated Property
Cp,gas 623.74 J/mol×K 792.17 Joback Calculated Property

Similar Compounds

1,7-di-epi-«alpha»-Cedrene. 2-epi-«alpha»-Funebrene. 7-epi-«alpha»-Cedrene. 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3R«alpha»,3a«beta»,7«beta»,8a«alpha»). Di-epi-«alpha»-cedrene. «alpha»-Funebrene. 2-epi-«alpha»-Funebrene. «alpha»-Barbatene. (3aR,4R,8R,8aS)-3a,4,7,8a-Tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene. 4,4-Dimethyl, 5a-,13a-androst-8-ene. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a, 8-dimethyl-2-[1-methylethyl]-. undulatene. «gamma»-Cedrene. (1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene.

Find more compounds similar to 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-.

Sources

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

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