Chemical Properties of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-

Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-

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InChI
InChI=1S/C13H22O/c1-8(2)5-10-11-6-9(7-12(10)14)13(11,3)4/h8-11H,5-7H2,1-4H3
InChI Key
BLQUUSSRJOLJLD-UHFFFAOYSA-N
Formula
C13H22O
SMILES
CC(C)CC1C(=O)CC2CC1C2(C)C
Molecular Weight1
194.31
Other Names
  • 6,6-Dimethyl-2-(2-methylpropyl)-bicyclo[3.1.1]heptan-3-one (isomer)
Sources

Physical Properties

Property Value Unit Source
Δf 22.04 kJ/mol Joback Calculated Property
Δfgas -340.63 kJ/mol Joback Calculated Property
Δfus 15.43 kJ/mol Joback Calculated Property
Δvap 46.62 kJ/mol Joback Calculated Property
logPoct/wat 3.28 Crippen Calculated Property
Pc 2145.33 kPa Joback Calculated Property
Tboil 572.87 K Joback Calculated Property
Tc 789.25 K Joback Calculated Property
Tfus 337.27 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 472.83 J/mol×K 572.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-.

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