Chemical Properties of Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1«alpha»,4a«beta»,8a«alpha»)- (CAS 39029-41-9)

Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1«alpha»,4a«beta»,8a«alpha»)-

InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
InChI Key
WRHGORWNJGOVQY-RBSFLKMASA-N
Formula
C15H24
SMILES
C=C1CCC(C(C)C)C2C=C(C)CCC12
Molecular Weight1
204.35
CAS
39029-41-9
Other Names
  • «gamma»-Cadinene
  • 1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene)-, (1R,4aS,8aS)-rel-
  • (1R,4aS,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
  • (1S-(1«alpha»,4«alpha»,4«alpha»,6«alpha»,8«beta»))-decahydro-4-isopropyl-1,6-dimethyl-naphthalene («gamma»-cadinene)
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Physical Properties

Property Value Unit Source
ΔfusH° 19.70 kJ/mol Joback Calculated Property
logPoct/wat 4.581 Crippen Calculated Property
McVol 191.890 ml/mol McGowan Calculated Property
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Ip Outlier 1724.00 NIST
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Ip Outlier 1716.00 NIST
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Ip Outlier 1727.00 NIST
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Ip 1754.00 NIST
Ip Outlier 1722.00 NIST
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Ip Outlier 1729.00 NIST
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Ip 1770.00 NIST
Ip Outlier 1793.00 NIST
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Ip Outlier 1724.00 NIST
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Ip 1756.00 NIST
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Ip 1776.00 NIST
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Ip 1756.00 NIST
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Ip 1780.00 NIST
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Ip 1776.00 NIST
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Ip 1776.00 NIST
Ip 1776.00 NIST
Ip Outlier 1729.00 NIST
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Ip 1755.00 NIST
Ip 1748.00 NIST
Ip 1754.00 NIST
Ip 1757.00 NIST
Ip 1737.00 NIST
Ip 1760.00 NIST
Ip 1763.00 NIST
Ip 1773.00 NIST
Ip 1779.00 NIST
Ip Outlier 1724.00 NIST
Ip 1753.00 NIST
Ip 1750.00 NIST
Ip 1752.00 NIST
Ip 1738.00 NIST
Ip Outlier 1727.00 NIST
Ip 1756.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [251.77; 700.73] 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-8.30900e+01
Coefficient B1.43866e+00
Coefficient C-8.22640e-04
Coefficient D1.67800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.77 J/mol×K 273.00 Calculated Property
Cp,gas 330.35 J/mol×K 353.78 Calculated Property
Cp,gas 400.51 J/mol×K 434.56 Calculated Property
Cp,gas 462.80 J/mol×K 515.33 Calculated Property
Cp,gas 517.73 J/mol×K 596.11 Calculated Property
Cp,gas 565.85 J/mol×K 676.89 Calculated Property
Cp,gas 607.67 J/mol×K 757.67 Calculated Property
Cp,gas 643.74 J/mol×K 838.44 Calculated Property
Cp,gas 674.59 J/mol×K 919.22 Calculated Property
Cp,gas 700.73 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0022043; 0.0003992] Pa×s [288.33; 550.06] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-9.70813e+00
Coefficient B1.03533e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.288.33
Temperature range, max.550.06
η 0.0022043 Pa×s 288.33 Calculated Property
η 0.0015863 Pa×s 317.41 Calculated Property
η 0.0012064 Pa×s 346.49 Calculated Property
η 0.0009572 Pa×s 375.57 Calculated Property
η 0.0007852 Pa×s 404.66 Calculated Property
η 0.0006614 Pa×s 433.74 Calculated Property
η 0.0005693 Pa×s 462.82 Calculated Property
η 0.0004988 Pa×s 491.90 Calculated Property
η 0.0004435 Pa×s 520.98 Calculated Property
η 0.0003992 Pa×s 550.06 Calculated Property

Similar Compounds

«tau»-cadinene. «delta»-muurolene. trans-«gamma»-cadinene. «gamma»-Bulgarene. (1S,4aR,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene. «gamma»-Muurolene. (1R,4R,4aS,8aR)-4,7-Dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene. Amorpha-4,11-diene. ent-(+)-(1R,6R,7S,10S)-Amorpha-4,11-diene. «gamma»2-cadinene. 4-Isopropyl-1-methyl-3-[1,5,9-trimethyl-1-(4-methyl-hexyl)-decyl]-cyclohexene. Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-. (1R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene. «alpha»-Muurolene. «alpha»-Muurolene.

Find more compounds similar to Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1«alpha»,4a«beta»,8a«alpha»)-.

Sources

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