Chemical Properties of Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (CAS 24545-81-1)

Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-

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InChI
InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3
InChI Key
LTTVJAQLCIHAFV-UHFFFAOYSA-N
Formula
C10H14O
SMILES
CC1=CC(=O)C2(C(C)C)CC12
Molecular Weight1
150.22
CAS
24545-81-1
Other Names
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one
  • 3-Thujen-2-one
  • 3-Thujene-2-one
  • NSC 22046
  • THUJEN-2-ONE
  • Thuj-3-en-2-one
  • Umbellulon
  • Umbellulone
  • Umbellunone
Sources

Physical Properties

Property Value Unit Source
Δf 44.63 kJ/mol Joback Calculated Property
Δfgas -185.56 kJ/mol Joback Calculated Property
Δfus 8.45 kJ/mol Joback Calculated Property
Δvap 41.34 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 3055.79 kPa Joback Calculated Property
Tboil 513.44 K Joback Calculated Property
Tc 736.91 K Joback Calculated Property
Tfus 328.74 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 306.56 J/mol×K 513.44 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,3,4,5,5,6-Hexamethylbicyclo[3.1.0]hex-3-en-2-one. 3.alpha.-5-Cyclo-ergosta-7,22-dien-6-one. Silphiperfol-6-en-5-one. Silphiperfol-6-en-5-one. 10-epi-Acor-3-en-5-one. 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»)-. .alpha.-THUJENAL. Dehydrosabinaketone. Bicyclo[3.1.0]hex-3-en-2-one, 5-(1-methylethyl)-. Cyclocolorenone. Cyclocolorenone. Silphiperfol-6-en-3,5-dione. Androst-4-ene-3,11,17-trione. Selina-3,11-dien-9-one. Selina-3,11-dien-9-one.

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