Chemical Properties of «beta»-Elemenone (CAS 20303-60-0)

«beta»-Elemenone

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InChI
InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3
InChI Key
ABLPGPHZENVRRH-UHFFFAOYSA-N
Formula
C15H22O
SMILES
C=CC1(C)CC(=O)C(=C(C)C)CC1C(=C)C
Molecular Weight1
218.33
CAS
20303-60-0
Other Names
  • (4S)--trans-«beta»-Elemenone
  • Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S,5S)-
  • 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone, (4S,5S)-
  • Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4S-trans)-
  • elemenone
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Physical Properties

Property Value Unit Source
Δf 168.12 kJ/mol Joback Calculated Property
Δfgas -134.10 kJ/mol Joback Calculated Property
Δfus 15.87 kJ/mol Joback Calculated Property
Δvap 51.81 kJ/mol Joback Calculated Property
log10WS -4.35 Crippen Calculated Property
logPoct/wat 4.070 Crippen Calculated Property
McVol 200.020 ml/mol McGowan Calculated Property
Pc 1918.62 kPa Joback Calculated Property
Inp [1586.00; 1606.50]   Show Hide
Inp 1600.00 NIST
Inp 1597.00 NIST
Inp 1606.50 NIST
Inp 1605.00 NIST
Inp 1586.00 NIST
Inp 1593.00 NIST
Inp 1590.00 NIST
Inp 1590.00 NIST
I [2091.00; 2107.00]   Show Hide
I 2091.00 NIST
I 2099.00 NIST
I 2107.00 NIST
Tboil 625.30 K Joback Calculated Property
Tc 852.13 K Joback Calculated Property
Tfus 332.99 K Joback Calculated Property
Vc 0.759 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [529.91; 639.53] J/mol×K [625.30; 852.13] Show Hide
Cp,gas 529.91 J/mol×K 625.30 Joback Calculated Property
Cp,gas 550.52 J/mol×K 663.11 Joback Calculated Property
Cp,gas 570.03 J/mol×K 700.91 Joback Calculated Property
Cp,gas 588.56 J/mol×K 738.72 Joback Calculated Property
Cp,gas 606.24 J/mol×K 776.52 Joback Calculated Property
Cp,gas 623.19 J/mol×K 814.33 Joback Calculated Property
Cp,gas 639.53 J/mol×K 852.13 Joback Calculated Property

Similar Compounds

trans-«beta»-Elemenone. Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, cis-. «beta»-(Z)-Elemenone. Eudesma-4(15),7(11)-dien-8-one. (+)-Eudesma-3,7(11)-dien-8-one. (+)-(5S,10S)-Eudesma-3,7(11)-dien-8-one. Selina-1,3,7(11)-trien-8-one. 13-nor-trans-Eudesma-4(15),7-dien-11-one. (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. cadina-4,10(15)-dien-3-one. Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-. «gamma»-Elemene. «gamma»-Elemene. Elemene isomer. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)-.

Find more compounds similar to «beta»-Elemenone.

Sources

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