Chemical Properties of 2-hydroxy-1-(4'S-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S )

2-hydroxy-1-(4'S-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S )

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InChI
InChI=1S/C12H18O2/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h6,9-10,13H,1,4-5,7H2,2-3H3/t9-,10+/m0/s1
InChI Key
PZBGMBKRUHYASB-VHSXEESVSA-N
Formula
C12H18O2
SMILES
C=C(C)C1CC=C(C(=O)C(C)O)CC1
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf -93.95 kJ/mol Joback Calculated Property
Δfgas -344.83 kJ/mol Joback Calculated Property
Δfus 19.08 kJ/mol Joback Calculated Property
Δvap 66.14 kJ/mol Joback Calculated Property
logPoct/wat 2.24 Crippen Calculated Property
Pc 2673.54 kPa Joback Calculated Property
Tboil 639.82 K Joback Calculated Property
Tc 841.74 K Joback Calculated Property
Tfus 325.69 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 449.81 J/mol×K 639.82 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-hydroxy-1-(4'R-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S ). (1R )-1-hydroxy-1-[(4'R )-4'-isopropenyl-1-cyclohexen-1-yl)-2-propanone,R. (1S )-1-hydroxy-1-[(4'R )-4'-isopropenyl-1-cyclohexen-1-yl]-2-propanone (S). (1S )-1-hydroxy-1-[(4'S )-4'-isopropenyl-1-cyclohexen-1-yl]-2-propanone (S). (1R )-1-hydroxy-1-[(4'S )-4'-isopropenyl-1-cyclohexen-1-yl]-2-propanone, R. (R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone. Cryptomerione. E-7-isopropenyl-4-methyl-10-methylene-4-cyclodecene-1-one. (-)-1R-8-Hydroxy-p-menth-4-en-3-one. 9-Hydroxycarvone. D-Carvone. (-)-Carvone. Carvone. Perillic acid. «beta»-Bisabolenal.

Find more compounds similar to 2-hydroxy-1-(4'S-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S ).

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