Chemical Properties of 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)- (CAS 6831-17-0)

2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-

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InChI
InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12?,13?,15+/m0/s1
InChI Key
UGVIZCBJCSXBCJ-PUZVGVIGSA-N
Formula
C15H22O
SMILES
CC1CCCC2=CC(=O)C3C(C3(C)C)C21C
Molecular Weight1
218.33
CAS
6831-17-0
Other Names
  • 2H-Cyclopropa[a]naphthalen-2-one, 1,1a«beta»,4,5,6,7,7a,7b«beta»-octahydro-1,1,7«beta»,7a«beta»-tetramethyl-
  • Aristolone
Sources

Physical Properties

Property Value Unit Source
Δf 104.81 kJ/mol Joback Calculated Property
Δfgas -248.44 kJ/mol Joback Calculated Property
Δfus 14.70 kJ/mol Joback Calculated Property
Δvap 51.35 kJ/mol Joback Calculated Property
logPoct/wat 3.59 Crippen Calculated Property
Pc 2187.68 kPa Joback Calculated Property
Tboil 634.46 K Joback Calculated Property
Tc 873.09 K Joback Calculated Property
Tfus 426.41 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 542.90 J/mol×K 634.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

24-Norursa-3,12-dien-11-one. 3.alpha.-5-Cyclo-ergosta-7,22-dien-6-one. Progesterone. Gansongone. 3-Oxoandrost-4-ene-17B-carboxaldehyde. Cyclopropa[d]naphthalen-2(4aH)-one, 1,1a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, [1aR-(1a«alpha»,4a«beta»,8aS*)]-. 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one. Longiverbenone. «alpha»-Longipinen-2-one (Vulgarone B). Mustakone. Androst-4-ene-3,17-dione. Deoxycorticosterone. 2,4a-Methanonaphthalen-7(4aH)-one, 1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-, (2s-cis)-. 1,2,3,4,5,6-Hexahydro-1,1,5,5-tetramethyl-2,4a-methanonaphthalen-7(4aH)-one. (-)-nootkatone.

Find more compounds similar to 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-.

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