Chemical Properties of Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]- (CAS 471-15-8)

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-

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InChI Key
Molecular Weight1
Other Names
  • (+)-Isothujone
  • (+)-Thujone
  • (+)-«beta»-Thujone
  • (E)-Thujone
  • (d) 1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one (thujone)
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one-, (1S,4S,5R)-
  • 3-Thujanone, (1S,4S,5R)-(+)-
  • D-Isothujone
  • D-«beta»-Thujone
  • Isothujone
  • NSC 67392
  • Thujone trans
  • Thujone, (+)-
  • cis-Thujone (CAS)
  • trans-Thujone
  • trans-thujone («beta»-thujone)
  • «beta»-Thujone

Physical Properties

Property Value Unit Source
Δf 16.59 kJ/mol Joback Calculated Property
Δfgas -252.21 kJ/mol Joback Calculated Property
Δfus 8.69 kJ/mol Joback Calculated Property
Δvap 40.08 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 2881.21 kPa Joback Calculated Property
Tboil 504.63 K Joback Calculated Property
Tc 724.49 K Joback Calculated Property
Tfus 311.22 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 324.27 J/mol×K 504.63 Joback Calculated Property
ΔvapH 51.80 kJ/mol 392.5 NIST

Molecular Descriptors

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

Similar Compounds

3-Isothujone. Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-. iso-3-Thujone. Thujone. «delta»-Thujone. Methyl sabinaketone. 3-iso-Thujopsanone. 3-Thujopsanone. Thujopsa-3-one. 3-thujopsanone. 3-iso-Thujopsanone. Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-. Isocamphenone, endo-. 1,10-seco-Aromadendran-1,10-dione. 5-epi-1,10-seco-Aromadendran-1,10-dione.

Find more compounds similar to Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-.

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