Chemical Properties of (3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene (CAS 79120-98-2)

(3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene

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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/h11-13H,1,5-9H2,2-4H3
InChI Key
DYLPEFGBWGEFBB-UHFFFAOYSA-N
Formula
C15H24
SMILES
C=C1CCC23CC1C(C)(C)C2CCC3C
Molecular Weight1
204.35
CAS
79120-98-2
Other Names
  • 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aR,7R,8aS)-
  • 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3«alpha»,3a«alpha»,7«alpha»,8a«alpha»)]-
  • 1,7-Di-epi-«beta»-cedrene
  • «beta»-Funebrene
  • 1,7-di-epi-«alpha»-Cedrene
  • Cedrene <1,7-di-epi-«alpha»>
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Physical Properties

Property Value Unit Source
Δf 260.15 kJ/mol Joback Calculated Property
Δfgas -72.81 kJ/mol Joback Calculated Property
Δfus 13.20 kJ/mol Joback Calculated Property
Δvap 46.31 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 2113.89 kPa Joback Calculated Property
Inp [1373.00; 1449.00]   Show Hide
Inp 1415.10 NIST
Inp 1415.10 NIST
Inp 1397.00 NIST
Inp 1449.00 NIST
Inp 1433.00 NIST
Inp 1411.00 NIST
Inp 1406.00 NIST
Inp 1393.00 NIST
Inp 1380.00 NIST
Inp 1399.00 NIST
Inp Outlier 1373.00 NIST
Inp 1381.00 NIST
Inp 1446.00 NIST
Inp 1382.00 NIST
Inp 1449.00 NIST
Inp 1413.00 NIST
Inp 1422.00 NIST
Inp 1378.00 NIST
Inp 1446.00 NIST
Inp 1433.00 NIST
Inp 1399.00 NIST
Inp 1449.00 NIST
Inp 1422.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1419.00 NIST
Inp 1415.00 NIST
Inp 1401.00 NIST
Inp 1414.00 NIST
Inp 1416.00 NIST
Inp 1434.00 NIST
Inp 1392.00 NIST
Inp 1416.00 NIST
Inp 1388.00 NIST
Inp 1423.00 NIST
Inp 1416.00 NIST
Inp 1392.00 NIST
Inp 1415.00 NIST
Inp 1414.00 NIST
Inp 1404.00 NIST
Inp 1404.00 NIST
Inp 1415.00 NIST
Inp 1413.00 NIST
Inp 1415.00 NIST
Inp 1397.00 NIST
Inp 1410.00 NIST
Inp 1419.00 NIST
I [1569.00; 1618.00]   Show Hide
I Outlier 1618.00 NIST
I 1569.00 NIST
I 1588.00 NIST
I 1591.00 NIST
I 1587.00 NIST
I 1594.00 NIST
I 1587.00 NIST
I 1594.00 NIST
I 1588.00 NIST
I 1591.00 NIST
Tboil 561.66 K Joback Calculated Property
Tc 785.91 K Joback Calculated Property
Tfus 358.59 K Joback Calculated Property
Vc 0.709 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [501.94; 623.10] J/mol×K [561.66; 785.91] Show Hide
Cp,gas 501.94 J/mol×K 561.66 Joback Calculated Property
Cp,gas 525.20 J/mol×K 599.03 Joback Calculated Property
Cp,gas 546.85 J/mol×K 636.41 Joback Calculated Property
Cp,gas 567.18 J/mol×K 673.78 Joback Calculated Property
Cp,gas 586.48 J/mol×K 711.16 Joback Calculated Property
Cp,gas 605.02 J/mol×K 748.53 Joback Calculated Property
Cp,gas 623.10 J/mol×K 785.91 Joback Calculated Property

Similar Compounds

1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-. (3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene. «beta»-Funebrene. (+)-«beta»-Funebrene. 3«alpha»,3a«beta»,7«beta»,8a«alpha»-1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene. «beta»-Barbatene. «beta»-Duprezianene. Ventricos-7(13)-ene. Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene-. (-)-Myltayl-8(12)-ene. Myltayl-4(12)-ene. Myltayl-8(12)-ene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a-trimethyl-6-methylenedecahydronaphthalene. Rotundene. Isorotundene.

Find more compounds similar to (3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene.

Sources

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