Chemical Properties of «alpha»-Muurolene (CAS 31983-22-9)

«alpha»-Muurolene

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InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1
InChI Key
QMAYBMKBYCGXDH-ZNMIVQPWSA-N
Formula
C15H24
SMILES
CC1=CC2C(CC1)C(C)=CCC2C(C)C
Molecular Weight1
204.35
CAS
31983-22-9
Other Names
  • 1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene, (1«alpha»,4a«alpha»,8a«alpha»)
  • 1«xi»,6«xi»,7«xi»-Cadina-4,9-diene
  • Muurolene
  • Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,4aR,8aS)-rel-
  • Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1«alpha»,4a«alpha»,8a«alpha»)-
  • [1«alpha»,4a«alpha»,8a«alpha»]-1,2,4a,5,6,8a-hexahydro-4-7-dimethyl-1-[1-methylethyl]naphthalene
Sources

Physical Properties

Property Value Unit Source
Δf 179.03 kJ/mol Joback Calculated Property
Δfgas -164.97 kJ/mol Joback Calculated Property
Δfus 21.69 kJ/mol Joback Calculated Property
Δvap 50.71 kJ/mol Joback Calculated Property
logPoct/wat 4.58 Crippen Calculated Property
Pc 1921.98 kPa Joback Calculated Property
Tboil 576.33 K Joback Calculated Property
Tc 791.72 K Joback Calculated Property
Tfus 287.93 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 503.29 J/mol×K 576.33 Joback Calculated Property
η 0.00 Pa×s 576.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 2
=C< (ring) 2
-CH3 4
>CH- (ring) 3
-CH2- (ring) 3

Similar Compounds

7-epi-«alpha»-Cadinene. «beta»-Amorphene. Amorphene. Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-. Muurola-4,9-diene. Zizanene. Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-. epi- «alpha»-Muurolene. «alpha»-Muurolene. +«alpha»-Amorphene. (1R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene. «alpha»-Phellandrene dimer. dimer of «alpha»-phellandrene. Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-. 1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl) naphthalene.

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