Chemical Properties of «alpha»-Guaiene (CAS 3691-12-1)

«alpha»-Guaiene

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InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m1/s1
InChI Key
ADIDQIZBYUABQK-UPJWGTAASA-N
Formula
C15H24
SMILES
C=C(C)C1CCC(C)C2=C(C1)C(C)CC2
Molecular Weight1
204.35
CAS
3691-12-1
Other Names
  • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,4«alpha»,7«alpha»)]-
  • (1S,4S,7R)-1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene
  • Guaia-1(5),11-diene
  • 7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1«alpha»,4«alpha»,7«alpha»)]-
  • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
  • «alpha»-Guajene
  • «alpha»-quaiene
  • «alpha»-Guaiaene
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Physical Properties

Property Value Unit Source
Δf 230.80 kJ/mol Joback Calculated Property
Δfgas -101.83 kJ/mol Joback Calculated Property
Δfus 21.40 kJ/mol Joback Calculated Property
Δvap 50.22 kJ/mol Joback Calculated Property
log10WS -4.87 Crippen Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
McVol 191.890 ml/mol McGowan Calculated Property
Pc 1927.05 kPa Joback Calculated Property
Inp [1409.00; 1490.00]   Show Hide
Inp 1438.00 NIST
Inp 1440.00 NIST
Inp 1439.00 NIST
Inp 1442.00 NIST
Inp 1457.00 NIST
Inp 1439.00 NIST
Inp 1452.00 NIST
Inp 1440.00 NIST
Inp 1451.00 NIST
Inp 1441.00 NIST
Inp 1433.00 NIST
Inp 1443.00 NIST
Inp 1428.00 NIST
Inp 1455.00 NIST
Inp 1455.00 NIST
Inp 1439.00 NIST
Inp Outlier 1490.00 NIST
Inp Outlier 1413.00 NIST
Inp 1436.00 NIST
Inp Outlier 1409.00 NIST
Inp 1439.00 NIST
Inp 1440.00 NIST
Inp 1440.00 NIST
Inp 1437.00 NIST
Inp 1440.00 NIST
Inp 1439.00 NIST
Inp 1428.00 NIST
Inp 1428.00 NIST
Inp 1418.00 NIST
Inp 1440.00 NIST
Inp 1440.00 NIST
Inp 1441.00 NIST
Inp 1426.00 NIST
Inp 1438.00 NIST
Inp 1440.00 NIST
Inp Outlier 1489.00 NIST
Inp 1439.00 NIST
Inp 1440.00 NIST
Inp 1439.00 NIST
Inp 1445.00 NIST
Inp 1439.00 NIST
Inp 1440.00 NIST
Inp 1438.00 NIST
Inp 1455.00 NIST
Inp 1441.00 NIST
Inp 1435.00 NIST
Inp 1438.00 NIST
Inp 1429.00 NIST
Inp 1456.00 NIST
Inp 1439.00 NIST
Inp 1458.00 NIST
Inp 1442.00 NIST
Inp 1442.00 NIST
Inp 1418.00 NIST
Inp 1440.00 NIST
Inp 1447.00 NIST
Inp 1441.00 NIST
Inp 1439.00 NIST
Inp 1446.00 NIST
Inp 1453.00 NIST
Inp 1429.00 NIST
Inp 1444.00 NIST
Inp Outlier 1489.00 NIST
Inp 1439.00 NIST
Inp Outlier 1490.00 NIST
Inp 1424.00 NIST
Inp 1439.00 NIST
Inp 1437.00 NIST
Inp 1435.00 NIST
Inp 1438.00 NIST
Inp 1442.00 NIST
Inp 1433.00 NIST
Inp 1433.00 NIST
Inp 1444.00 NIST
Inp 1440.00 NIST
Inp 1438.00 NIST
Inp 1437.00 NIST
Inp 1419.00 NIST
Inp 1420.00 NIST
Inp 1444.00 NIST
Inp 1450.00 NIST
Inp 1439.00 NIST
Inp 1427.00 NIST
Inp 1441.00 NIST
Inp 1429.00 NIST
Inp 1444.00 NIST
Inp 1445.00 NIST
Inp 1438.00 NIST
Inp 1440.00 NIST
Inp 1443.00 NIST
Inp 1452.00 NIST
Inp Outlier 1480.00 NIST
Inp 1439.00 NIST
Inp 1446.00 NIST
Inp 1440.00 NIST
Inp 1434.00 NIST
Inp 1447.00 NIST
Inp 1440.00 NIST
Inp 1430.00 NIST
Inp 1429.00 NIST
Inp 1434.00 NIST
Inp 1434.00 NIST
Inp 1462.00 NIST
Inp 1454.00 NIST
Inp 1425.00 NIST
Inp 1428.00 NIST
Inp 1423.00 NIST
Inp 1428.00 NIST
Inp 1453.00 NIST
Inp 1442.00 NIST
Inp 1446.00 NIST
Inp 1435.00 NIST
Inp 1438.00 NIST
Inp 1437.00 NIST
Inp 1436.00 NIST
Inp 1440.00 NIST
Inp 1437.00 NIST
Inp Outlier 1470.00 NIST
Inp 1445.00 NIST
Inp 1444.00 NIST
Inp Outlier 1469.00 NIST
Inp Outlier 1469.00 NIST
Inp Outlier 1469.00 NIST
Inp 1444.00 NIST
Inp 1424.00 NIST
Inp 1440.00 NIST
Inp 1452.00 NIST
Inp 1452.00 NIST
Inp 1453.00 NIST
Inp 1454.00 NIST
Inp 1455.00 NIST
Inp 1456.00 NIST
Inp 1433.00 NIST
Inp 1442.00 NIST
Inp 1444.00 NIST
Inp 1454.00 NIST
Inp 1454.00 NIST
Inp 1435.00 NIST
Inp 1440.00 NIST
Inp 1453.00 NIST
Inp 1459.00 NIST
Inp 1439.00 NIST
Inp 1440.00 NIST
Inp 1441.00 NIST
Inp 1444.00 NIST
Inp 1440.00 NIST
Inp 1442.00 NIST
Inp 1439.00 NIST
Inp 1438.00 NIST
Inp 1438.00 NIST
Inp 1439.00 NIST
Inp 1436.00 NIST
Inp 1439.00 NIST
Inp 1442.00 NIST
Inp 1439.00 NIST
Inp 1439.00 NIST
Inp 1448.00 NIST
Inp 1420.00 NIST
Inp 1440.00 NIST
Inp 1441.00 NIST
Inp 1439.00 NIST
Inp 1440.00 NIST
Inp 1440.00 NIST
Inp 1446.00 NIST
Inp 1446.00 NIST
Inp 1441.00 NIST
Inp 1438.00 NIST
Inp 1438.00 NIST
Inp 1453.00 NIST
Inp 1441.00 NIST
Inp Outlier 1490.00 NIST
Inp 1440.00 NIST
Inp 1428.00 NIST
Inp 1441.00 NIST
Inp 1439.00 NIST
Inp 1438.00 NIST
Inp 1442.00 NIST
Inp 1433.00 NIST
Inp 1435.00 NIST
Inp 1420.00 NIST
I [1578.00; 1652.00]   Show Hide
I 1589.00 NIST
I 1600.00 NIST
I 1591.00 NIST
I 1650.00 NIST
I 1652.00 NIST
I 1583.00 NIST
I 1596.00 NIST
I 1611.00 NIST
I 1596.00 NIST
I 1603.00 NIST
I 1578.00 NIST
I 1600.00 NIST
I 1651.00 NIST
I 1651.00 NIST
I 1596.00 NIST
I 1596.00 NIST
I 1596.00 NIST
I 1652.00 NIST
I 1596.00 NIST
I 1596.00 NIST
Tboil 574.17 K Joback Calculated Property
Tc 791.30 K Joback Calculated Property
Tfus 286.45 K Joback Calculated Property
Vc 0.725 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [501.80; 621.88] J/mol×K [574.17; 791.30] Show Hide
Cp,gas 501.80 J/mol×K 574.17 Joback Calculated Property
Cp,gas 525.03 J/mol×K 610.36 Joback Calculated Property
Cp,gas 546.90 J/mol×K 646.55 Joback Calculated Property
Cp,gas 567.47 J/mol×K 682.74 Joback Calculated Property
Cp,gas 586.78 J/mol×K 718.92 Joback Calculated Property
Cp,gas 604.90 J/mol×K 755.11 Joback Calculated Property
Cp,gas 621.88 J/mol×K 791.30 Joback Calculated Property

Similar Compounds

Aciphyllene. Cyclohexene, 1,2-dimethyl-4-(1-methylethenyl). 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene. 4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene. (-)-selina-4,11-diene. Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,7«alpha»,8a«beta»)]-. 1«alpha»,7«alpha»,8a«beta»-Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl). «delta»-Guajene. 1,2,3,5,6,7,8,8a-Octahydro-1,4-dimethyl-7-(1-methylethenyl)azulene. 1«alpha»,4«alpha»,7«alpha»-Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl). Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-. Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-. 3,7-Guaiadiene. 1(10),7(11)-Guaiadiene. Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, (4aR-trans)-.

Find more compounds similar to «alpha»-Guaiene.

Sources

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