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

(1S )-1-hydroxy-1-[(4'S )-4'-isopropenyl-1-cyclohexen-1-yl]-2-propanone (S)

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InChI
InChI=1S/C12H18O2/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h6,10,12,14H,1,4-5,7H2,2-3H3/t10-,12-/m1/s1
InChI Key
GALFHOWVRBFAIM-ZYHUDNBSSA-N
Formula
C12H18O2
SMILES
C=C(C)C1CC=C(C(O)C(C)=O)CC1
Molecular Weight1
194.27
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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
log10WS -2.86 Crippen Calculated Property
logPoct/wat 2.239 Crippen Calculated Property
McVol 167.920 ml/mol McGowan Calculated Property
Pc 2673.54 kPa Joback Calculated Property
Inp [1502.00; 1502.00]   Show Hide
Inp 1502.00 NIST
Inp 1502.00 NIST
I [2197.00; 2197.00]   Show Hide
I 2197.00 NIST
I 2197.00 NIST
Tboil 639.82 K Joback Calculated Property
Tc 841.74 K Joback Calculated Property
Tfus 325.69 K Joback Calculated Property
Vc 0.627 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [449.81; 526.73] J/mol×K [639.82; 841.74] Show Hide
Cp,gas 449.81 J/mol×K 639.82 Joback Calculated Property
Cp,gas 464.72 J/mol×K 673.47 Joback Calculated Property
Cp,gas 478.75 J/mol×K 707.13 Joback Calculated Property
Cp,gas 491.93 J/mol×K 740.78 Joback Calculated Property
Cp,gas 504.30 J/mol×K 774.43 Joback Calculated Property
Cp,gas 515.89 J/mol×K 808.09 Joback Calculated Property
Cp,gas 526.73 J/mol×K 841.74 Joback Calculated Property

Similar Compounds

(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'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone (S). (1R ,1'R )-1-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en- 2-yl)-1-hydroxy-2-propanone, R. Carveol. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, cis-. Carveol I. trans-Carveol. 4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol. 2-hydroxy-1-(4'S-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S ). 2-hydroxy-1-(4'R-isopropenyl-1-cyclohexen-1-yl)-1-propanone (R, S ). p-Mentha-1,8-dien-7-ol. (S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol. (1R,3S)-cembra-4,7,11,15-tetraen-3-ol.

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

Sources

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