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»)]-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10-/m1/s1
InChI Key
USMNOWBWPHYOEA-HUWCLSLFSA-N
Formula
C10H16O
SMILES
CC(C)C12CC1C(C)C(=O)C2
Molecular Weight1
152.23
CAS
471-15-8
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
Sources

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
>C=O (ring) 1
>C< (ring) 1
-CH3 3
>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»)]-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.