Chemical Properties of (1S ,1'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone (S)

(1S ,1'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone (S)

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InChI
InChI=1S/C12H18O2/c1-7(13)11(14)9-5-4-8-6-10(9)12(8,2)3/h5,8,10-11,14H,4,6H2,1-3H3/t8-,10-,11-/m1/s1
InChI Key
XMRUZCWDOKBXED-FBIMIBRVSA-N
Formula
C12H18O2
SMILES
CC(=O)C(O)C1=CCC2CC1C2(C)C
Molecular Weight1
194.27
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Physical Properties

Property Value Unit Source
ΔfG° -101.49 kJ/mol Joback Calculated Property
ΔfH°gas -380.45 kJ/mol Joback Calculated Property
ΔfusH° 18.78 kJ/mol Joback Calculated Property
ΔvapH° 64.83 kJ/mol Joback Calculated Property
log10WS -2.42 Crippen Calculated Property
logPoct/wat 1.929 Crippen Calculated Property
McVol 161.360 ml/mol McGowan Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Inp 1383.00 NIST
I 2036.00 NIST
Tboil 637.03 K Joback Calculated Property
Tc 839.39 K Joback Calculated Property
Tfus 386.05 K Joback Calculated Property
Vc 0.616 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [452.88; 530.37] J/mol×K [637.03; 839.39] Show Hide
Cp,gas 452.88 J/mol×K 637.03 Joback Calculated Property
Cp,gas 467.24 J/mol×K 670.76 Joback Calculated Property
Cp,gas 480.86 J/mol×K 704.48 Joback Calculated Property
Cp,gas 493.86 J/mol×K 738.21 Joback Calculated Property
Cp,gas 506.35 J/mol×K 771.94 Joback Calculated Property
Cp,gas 518.48 J/mol×K 805.67 Joback Calculated Property
Cp,gas 530.37 J/mol×K 839.39 Joback Calculated Property

Similar Compounds

(1R ,1'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone, R. (1R )-1-hydroxy-1-[(4'S )-4'-isopropenyl-1-cyclohexen-1-yl]-2-propanone, R. (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). Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-. (-)-Myrtenol. Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-. 4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol. Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-. Ylangenol. (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2,3,4,5,6-pentafluorobenzoate. 9-Aristolen-1-ol. 9-Aristolen-«alpha»-ol. Myrtenyl 3-methylvalerate.

Find more compounds similar to (1S ,1'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone (S).

Sources

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