Chemical Properties of Aristolochene (CAS 26620-71-3)

Aristolochene

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InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3
InChI Key
YONHOSLUBQJXPR-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC(C)C1CC=C2CCCC(C)C2(C)C1
Molecular Weight1
204.35
CAS
26620-71-3
Sources

Physical Properties

Property Value Unit Source
Δf 153.21 kJ/mol Joback Calculated Property
Δfgas -196.04 kJ/mol Joback Calculated Property
Δfus 14.56 kJ/mol Joback Calculated Property
Δvap 48.60 kJ/mol Joback Calculated Property
logPoct/wat 4.81 Crippen Calculated Property
Pc 1963.07 kPa Joback Calculated Property
Tboil 572.43 K Joback Calculated Property
Tc 793.31 K Joback Calculated Property
Tfus 298.55 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 521.00 J/mol×K 572.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 1
=C< (ring) 1
>C< (ring) 1
-CH3 4
>CH- (ring) 2
-CH2- (ring) 5

Similar Compounds

24-Norursa-3,12-diene. 24-Noroleana-3,12-diene. Urs-12-ene. 5-Androstene, 4,4-dimethyl-. Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«alpha»,8a«alpha»)]-. Cholest-5-ene. Valencene (isomer I). Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-. Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,7«alpha»,8a«alpha»)]-. Valencene (isomer II). Eremophylene. Rosa-5(10),15-diene. Rimua-5(10),15-diene. Cholest-4-ene. (4aS,8aS)-8-Isopentyl-4,4,7,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

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