Chemical Properties of [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one (CAS 14575-93-0)

[1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

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InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChI Key
MQPHVIPKLRXGDJ-WPZUCAASSA-N
Formula
C10H16O
SMILES
CC1C(=O)CC2CC1C2(C)C
Molecular Weight1
152.23
CAS
14575-93-0
Other Names
  • Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, [1s-(1«alpha»,2«beta»,5«alpha»)]-
Sources

Physical Properties

Property Value Unit Source
Δf -0.78 kJ/mol Joback Calculated Property
Δfgas -149.00 ± 8.40 kJ/mol NIST
Δfus 11.18 kJ/mol Joback Calculated Property
Δvap 40.33 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Tboil 504.67 K Joback Calculated Property
Tc 727.60 K Joback Calculated Property
Tfus 318.46 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 324.94 J/mol×K 504.67 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

S-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«beta»,5«alpha»)-. (Z)-Pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«alpha»,5«alpha»)-. (E)-Pinanone. cis-Pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-. pinocamphone isomer (T). Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-. Dihydroverbenone. Bicyclo[3.1.1]heptan-2-one, 3,6,6-trimethyl-. Hushinone. 22-Ketocholest-3-one. 1s,2r,5r-3-Pinanone.

Find more compounds similar to [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one.

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