Chemical Properties of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R)- (CAS 38651-65-9)

Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R)-

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InChI
InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
InChI Key
XZFDKWMYCUEKSS-UHFFFAOYSA-N
Formula
C9H14O
SMILES
CC1(C)C2CC1C(=O)CC2
Molecular Weight1
138.21
CAS
38651-65-9
Other Names
  • (+)-Nopinone
  • (1R)-(+)-Nopinone
  • (1R)-(+)-Norinone
  • 6,6-Dimethylbicyclo[3.1.1]heptan-2-one-, (1R)-
Sources

Physical Properties

Property Value Unit Source
Δf -1.49 kJ/mol Joback Calculated Property
Δfgas -232.45 kJ/mol Joback Calculated Property
Δfus 7.52 kJ/mol Joback Calculated Property
Δvap 38.41 kJ/mol Joback Calculated Property
logPoct/wat 2.01 Crippen Calculated Property
Pc 3265.31 kPa Joback Calculated Property
Tboil 482.20 K NIST
Tc 713.39 K Joback Calculated Property
Tfus 311.43 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 278.51 J/mol×K 486.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-. Norinone. Bicyclo[3.1.1]heptan-2-one, 3,6,6-trimethyl-. Dihydroverbenone. Pinonaldehyde. Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-. pinocamphone isomer (T). Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«alpha»,5«alpha»)-. cis-Pinocamphone. (E)-Pinanone. S-pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-. (Z)-Pinocamphone. [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one.

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