Chemical Properties of 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»)]- (CAS 21747-46-6)

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»)]-

InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13+,14+/m1/s1
InChI Key
WGTRJVCFDUCKCM-ZZVYKPCYSA-N
Formula
C15H24
SMILES
CC1=C2CCC(C)C2C2C(CC1)C2(C)C
Molecular Weight1
204.35
CAS
21747-46-6
Other Names
  • (+)-Ledene
  • 1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene-, [1aR-(1a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-
  • Viridiflorene
  • Leden
  • Ledene
  • (1aR,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene
  • Virdiflorene
  • Viridflorene
  • Viridiflorene (ledene)
  • [1aR-(1a«alpha»,7«alpha»,7a«beta»,7b«alpha»)]-1a,2,3,5,6,7,7a,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 [1458.00; 1534.00]   Show Hide
Inp 1501.00 NIST
Inp 1501.00 NIST
Inp 1505.00 NIST
Inp Outlier 1523.00 NIST
Inp 1482.00 NIST
Inp 1478.00 NIST
Inp Outlier 1470.00 NIST
Inp 1493.00 NIST
Inp 1490.00 NIST
Inp 1493.00 NIST
Inp 1489.00 NIST
Inp 1476.00 NIST
Inp 1476.00 NIST
Inp 1493.00 NIST
Inp 1493.00 NIST
Inp 1496.00 NIST
Inp 1489.00 NIST
Inp 1495.00 NIST
Inp 1487.00 NIST
Inp Outlier 1520.00 NIST
Inp 1491.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1495.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp 1495.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp 1497.00 NIST
Inp 1497.00 NIST
Inp 1496.00 NIST
Inp 1492.00 NIST
Inp 1497.00 NIST
Inp 1497.00 NIST
Inp 1497.00 NIST
Inp 1494.00 NIST
Inp Outlier 1462.00 NIST
Inp 1496.00 NIST
Inp 1499.00 NIST
Inp Outlier 1473.00 NIST
Inp 1494.00 NIST
Inp 1493.00 NIST
Inp 1500.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1494.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp Outlier 1511.00 NIST
Inp 1493.00 NIST
Inp 1496.00 NIST
Inp 1494.00 NIST
Inp 1485.00 NIST
Inp 1509.00 NIST
Inp 1493.00 NIST
Inp 1497.00 NIST
Inp 1504.00 NIST
Inp 1499.00 NIST
Inp 1500.00 NIST
Inp 1489.00 NIST
Inp 1489.00 NIST
Inp 1489.00 NIST
Inp 1493.00 NIST
Inp 1485.00 NIST
Inp Outlier 1534.00 NIST
Inp 1502.00 NIST
Inp 1491.00 NIST
Inp 1492.00 NIST
Inp 1497.00 NIST
Inp 1488.00 NIST
Inp 1494.00 NIST
Inp 1504.00 NIST
Inp 1496.00 NIST
Inp 1498.00 NIST
Inp Outlier 1466.00 NIST
Inp 1482.00 NIST
Inp 1483.00 NIST
Inp 1494.00 NIST
Inp 1483.00 NIST
Inp 1491.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1488.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp 1493.00 NIST
Inp 1502.00 NIST
Inp 1487.00 NIST
Inp 1486.00 NIST
Inp 1491.00 NIST
Inp 1492.00 NIST
Inp 1494.00 NIST
Inp 1487.00 NIST
Inp 1493.00 NIST
Inp Outlier 1458.00 NIST
Inp 1487.00 NIST
Inp 1478.00 NIST
Inp 1493.00 NIST
Inp 1502.00 NIST
Inp 1493.00 NIST
Inp Outlier 1473.00 NIST
Inp 1489.00 NIST
Inp 1481.00 NIST
Inp Outlier 1471.00 NIST
Inp 1492.00 NIST
Inp 1487.00 NIST
Inp 1495.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp 1481.00 NIST
Inp 1493.00 NIST
Inp 1474.00 NIST
Inp 1499.00 NIST
Inp 1490.00 NIST
Inp 1493.00 NIST
Inp Outlier 1470.00 NIST
Inp 1489.00 NIST
Inp 1489.00 NIST
Inp 1490.00 NIST
Inp 1482.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp 1494.00 NIST
Inp 1497.00 NIST
Inp 1484.00 NIST
Inp 1484.00 NIST
Inp 1487.00 NIST
Inp 1497.00 NIST
Inp 1497.00 NIST
Inp 1493.00 NIST
Inp 1496.00 NIST
Inp 1491.00 NIST
Inp 1497.00 NIST
Inp 1488.00 NIST
Inp 1493.00 NIST
Inp 1487.00 NIST
Inp 1491.00 NIST
Inp 1489.00 NIST
Inp 1498.00 NIST
Inp 1487.00 NIST
Inp 1492.00 NIST
Inp 1497.00 NIST
Inp 1493.00 NIST
Inp 1497.00 NIST
Inp 1487.00 NIST
Inp 1500.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1498.00 NIST
Inp 1484.00 NIST
Inp 1493.00 NIST
Inp 1493.00 NIST
Inp Outlier 1472.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1498.00 NIST
Inp 1484.00 NIST
Inp 1490.00 NIST
Inp 1495.00 NIST
Inp 1501.00 NIST
Inp 1499.00 NIST
Inp 1493.00 NIST
Inp 1492.00 NIST
Inp 1496.00 NIST
Inp 1494.00 NIST
Inp 1488.00 NIST
Inp 1502.00 NIST
Inp 1478.00 NIST
Inp 1489.00 NIST
Inp 1474.00 NIST
Inp 1484.00 NIST
Inp 1487.00 NIST
Inp 1491.00 NIST
Inp 1497.00 NIST
Ip [1653.00; 1736.00]   Show Hide
Ip Outlier 1736.00 NIST
Ip 1701.00 NIST
Ip 1708.00 NIST
Ip Outlier 1656.00 NIST
Ip 1688.00 NIST
Ip 1686.00 NIST
Ip 1686.00 NIST
Ip 1698.00 NIST
Ip 1697.00 NIST
Ip 1686.00 NIST
Ip 1693.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1695.00 NIST
Ip 1704.00 NIST
Ip 1695.00 NIST
Ip 1698.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1699.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1695.00 NIST
Ip 1690.00 NIST
Ip 1701.00 NIST
Ip 1707.00 NIST
Ip 1694.00 NIST
Ip 1671.00 NIST
Ip Outlier 1669.00 NIST
Ip 1701.00 NIST
Ip 1716.00 NIST
Ip 1694.00 NIST
Ip 1696.00 NIST
Ip 1704.00 NIST
Ip Outlier 1653.00 NIST
Ip 1696.00 NIST
Ip 1694.00 NIST
Ip 1671.00 NIST
Ip 1706.00 NIST
Ip 1707.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1704.00 NIST
Ip 1695.00 NIST
Ip 1690.00 NIST
Ip 1713.00 NIST
Ip 1685.00 NIST
Ip 1697.00 NIST
Ip 1697.00 NIST
Ip 1679.00 NIST
Ip 1709.00 NIST
Ip 1695.00 NIST
Ip 1708.00 NIST
Ip 1695.00 NIST
Ip 1719.00 NIST
Ip 1697.00 NIST
Ip 1708.00 NIST
Ip 1707.00 NIST
Ip 1708.00 NIST
Ip 1708.00 NIST
Ip 1707.00 NIST
Ip 1707.00 NIST
Ip 1707.00 NIST
Ip 1705.00 NIST
Ip 1695.00 NIST
Ip Outlier 1656.00 NIST
Ip 1697.00 NIST
Ip 1695.00 NIST
Ip 1690.00 NIST
Ip Outlier 1736.00 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

Viridiflorine. «iota»-Gurjunene. 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»)]-. African-2(6)-ene. 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»)]-. 1,5-cis-Aromadendr-9-ene. Alloaromadendr-9-ene. Dehydroaromadendrene. bulnesene. «gamma»-Vetivene. 1,1,4-Trimethyl-7-methylene-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene. Ginsinsene. .alpha.-Maaliene. 4-methyl-3-carene.

Find more compounds similar to 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»)]-.

Sources

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