Chemical Properties of Alloaromadendrene (CAS 25246-27-9)

Alloaromadendrene

InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12-,13-,14-/m1/s1
InChI Key
ITYNGVSTWVVPIC-OOAQSJESSA-N
Formula
C15H24
SMILES
C=C1CCC2C(C3C(C)CCC13)C2(C)C
Molecular Weight1
204.35
CAS
25246-27-9
Other Names
  • 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a«alpha»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-
  • 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aS,7R,7aR,7bS)-(-)-
  • (-)-Alloaromadendrene
  • L-Alloaromadendrene
  • Alloaromadendren
  • 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene-, [1aR-(1a«alpha»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-
  • Aromadendrene, allo-
  • (1aR,4aS,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene
  • allo-aromandendrene
  • Alloaromadedrene
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Physical Properties

Property Value Unit Source
ΔfusH° 20.57 kJ/mol Joback Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1411.00; 1503.00]   Show Hide
Inp 1455.00 NIST
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Inp Outlier 1495.00 NIST
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Inp Outlier 1437.00 NIST
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Ip [1606.00; 1685.00]   Show Hide
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Tboil 531.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [242.95; 731.36] 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-1.81600e+02
Coefficient B1.95726e+00
Coefficient C-1.63400e-03
Coefficient D5.89700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 242.95 J/mol×K 273.00 Calculated Property
Cp,gas 332.44 J/mol×K 353.78 Calculated Property
Cp,gas 408.77 J/mol×K 434.56 Calculated Property
Cp,gas 473.81 J/mol×K 515.33 Calculated Property
Cp,gas 529.42 J/mol×K 596.11 Calculated Property
Cp,gas 577.47 J/mol×K 676.89 Calculated Property
Cp,gas 619.83 J/mol×K 757.67 Calculated Property
Cp,gas 658.35 J/mol×K 838.44 Calculated Property
Cp,gas 694.91 J/mol×K 919.22 Calculated Property
Cp,gas 731.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

«alpha»-Aromadendrene. 1aR-1a«alpha»,4a«alpha»,7«alpha»,7a«beta»,7b«alpha»-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene. Aromadendrene. «beta»-aromadendrene. Aromandendrene. allo-9-aromadendrene. 1H-Cyclopropa[a]naphthalene, decahydro-1,1,3a-trimethyl-7-methylene-, [1aS-(1a«alpha»,3a«alpha»,7a«beta»,7b«alpha»)]-. «beta»-Spathulene. 1,1,7-Trimethyl-4-methylene-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene. Aromadendra-4,10(15)-diene. allo-Aromadendra-4(15),10(14)-diene. (+)-(1R,5S,6S,7S)-allo-aromadendra-4(15),10(14)-diene. Cubeb-11-ene. 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a«alpha»,3b«beta»,4«beta»,7«alpha»,7aS*)]-. 6-epi-«beta»-Cubebene.

Find more compounds similar to Alloaromadendrene.

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