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)

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -101.49 kJ/mol Joback Calculated Property
Δfgas -380.45 kJ/mol Joback Calculated Property
Δfus 18.78 kJ/mol Joback Calculated Property
Δvap 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.