Chemical Properties of (+)-3,4,4aR,7,8,8aR-hexahydro5,8a-dimethyl-naphthalen-2(1H)-one

(+)-3,4,4aR,7,8,8aR-hexahydro5,8a-dimethyl-naphthalen-2(1H)-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H18O/c1-9-5-4-8-12(2)10(9)6-3-7-11(12)13/h5,10H,3-4,6-8H2,1-2H3/t10-,12+/m0/s1
InChI Key
YZACMEAWVUXCNY-CMPLNLGQSA-N
Formula
C12H18O
SMILES
CC1=CCCC2(C)C(=O)CCCC12
Molecular Weight1
178.27
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Physical Properties

Property Value Unit Source
Δf 15.51 kJ/mol Joback Calculated Property
Δfgas -246.20 kJ/mol Joback Calculated Property
Δfus 8.75 kJ/mol Joback Calculated Property
Δvap 46.87 kJ/mol Joback Calculated Property
log10WS -3.29 Crippen Calculated Property
logPoct/wat 3.102 Crippen Calculated Property
McVol 155.490 ml/mol McGowan Calculated Property
Pc 2744.03 kPa Joback Calculated Property
Inp 1461.00 NIST
Tboil 576.72 K Joback Calculated Property
Tc 820.09 K Joback Calculated Property
Tfus 352.20 K Joback Calculated Property
Vc 0.581 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [404.28; 512.16] J/mol×K [576.72; 820.09] Show Hide
Cp,gas 404.28 J/mol×K 576.72 Joback Calculated Property
Cp,gas 425.04 J/mol×K 617.28 Joback Calculated Property
Cp,gas 444.48 J/mol×K 657.84 Joback Calculated Property
Cp,gas 462.77 J/mol×K 698.41 Joback Calculated Property
Cp,gas 480.04 J/mol×K 738.97 Joback Calculated Property
Cp,gas 496.46 J/mol×K 779.53 Joback Calculated Property
Cp,gas 512.16 J/mol×K 820.09 Joback Calculated Property

Similar Compounds

(+)-(5S,10S)-3,4,4aR,7,8,8aR-Hexahydro-5,8a-dimethylnaphthalen-2(1H)-one. «beta»-Amyrone. 8-«alpha»-Methyl-11,12,13-tris-nor-eremophil-1(10)-en-7-one. «alpha»-Amyrone. Podocarp-7-en-3-one, 13«beta»-methyl-13-vinyl-. dihydromethylionone. 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. (+)-Eudesma-3,11-dien-8-one. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. (8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-one. Lophenone. 11,12-Dihydrochiloscyphone. lsolongifolen-9-one. Androst-4-ene-3,11,17-trione. (3R,3aR,7S,8aS)-3,6,8,8-Tetramethyl-4,7,8,8a-tetrahydro-1H-3a,7-methanoazulen-2(3H)-one.

Find more compounds similar to (+)-3,4,4aR,7,8,8aR-hexahydro5,8a-dimethyl-naphthalen-2(1H)-one.

Sources

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