Chemical Properties of 4-Oxo-«beta»-damascone (CAS 53398-08-6)

4-Oxo-«beta»-damascone

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InChI
InChI=1S/C13H18O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChI Key
IVBOBZYOBZBYMI-AATRIKPKSA-N
Formula
C13H18O2
SMILES
CC=CC(=O)C1=C(C)CC(=O)CC1(C)C
Molecular Weight1
206.28
CAS
53398-08-6
Other Names
  • 3-oxodamascone
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Physical Properties

Property Value Unit Source
Δf -83.05 kJ/mol Joback Calculated Property
Δfgas -340.31 kJ/mol Joback Calculated Property
Δfus 16.72 kJ/mol Joback Calculated Property
Δvap 56.38 kJ/mol Joback Calculated Property
log10WS -3.18 Crippen Calculated Property
logPoct/wat 2.837 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Inp [1664.00; 1664.00]   Show Hide
Inp 1664.00 NIST
Inp 1664.00 NIST
Tboil 651.60 K Joback Calculated Property
Tc 883.18 K Joback Calculated Property
Tfus 406.42 K Joback Calculated Property
Vc 0.673 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [468.71; 561.29] J/mol×K [651.60; 883.18] Show Hide
Cp,gas 468.71 J/mol×K 651.60 Joback Calculated Property
Cp,gas 485.89 J/mol×K 690.20 Joback Calculated Property
Cp,gas 502.22 J/mol×K 728.79 Joback Calculated Property
Cp,gas 517.81 J/mol×K 767.39 Joback Calculated Property
Cp,gas 532.78 J/mol×K 805.99 Joback Calculated Property
Cp,gas 547.23 J/mol×K 844.58 Joback Calculated Property
Cp,gas 561.29 J/mol×K 883.18 Joback Calculated Property

Similar Compounds

3-oxo-R-damascone 1. 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Isomethyl-«alpha»-damascone. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-. Cis Megastigma-5,8-diene-4-one. 2(1H)Naphthalenone, 3,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-. 1-(4-hydroxy-2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one. 4,6-Eudesmadiene-3,8-dione. 4-(3-oxobut-1-enylidene)-3,5,5-trimethylcyclohex-2-en-1-one. 3-Oxo-«beta»-ionol. 3-Oxo-«alpha»-damascone. (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. Eudesma-4,6-dien-3-one («beta»-cyperone). 6-(1-Hydroxymethylvinyl)-4,8a-dimethyl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one. (+)-Eudesma-3,7(11)-dien-8-one.

Find more compounds similar to 4-Oxo-«beta»-damascone.

Sources

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