Chemical Properties of 3-Oxo-«alpha»-ionone (CAS 79734-43-3)

3-Oxo-«alpha»-ionone

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InChI
InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+
InChI Key
MLYOGKJJENFVJN-AATRIKPKSA-N
Formula
C13H18O2
SMILES
CC(=O)C=CC1C(C)=CC(=O)CC1(C)C
Molecular Weight1
206.28
CAS
79734-43-3
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Physical Properties

Property Value Unit Source
Δf -81.13 kJ/mol Joback Calculated Property
Δfgas -349.18 kJ/mol Joback Calculated Property
Δfus 18.18 kJ/mol Joback Calculated Property
Δvap 55.41 kJ/mol Joback Calculated Property
log10WS -2.94 Crippen Calculated Property
logPoct/wat 2.693 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 2315.84 kPa Joback Calculated Property
Inp [1665.00; 1675.00]   Show Hide
Inp 1665.00 NIST
Inp 1675.00 NIST
Inp 1665.00 NIST
Tboil 641.95 K Joback Calculated Property
Tc 872.71 K Joback Calculated Property
Tfus 389.66 K Joback Calculated Property
Vc 0.672 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [471.42; 566.89] J/mol×K [641.95; 872.71] Show Hide
Cp,gas 471.42 J/mol×K 641.95 Joback Calculated Property
Cp,gas 489.28 J/mol×K 680.41 Joback Calculated Property
Cp,gas 506.22 J/mol×K 718.87 Joback Calculated Property
Cp,gas 522.33 J/mol×K 757.33 Joback Calculated Property
Cp,gas 537.74 J/mol×K 795.79 Joback Calculated Property
Cp,gas 552.56 J/mol×K 834.25 Joback Calculated Property
Cp,gas 566.89 J/mol×K 872.71 Joback Calculated Property

Similar Compounds

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. Megastigmatrienone. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-. (9R)-9-Hydroxy-4-7E-megastigmadien-3-one. (E)-4-(3-Oxo-2,6,6-trimethylcyclohex-1-en-1-yl)-3-buten-2-ol. «alpha»-Ionone. Ionone. «alpha»-Ionone. Allyl ionone 3. Allyl ionone 4. Allyl ionone 1. Allyl «alpha»-ionone. Allyl ionone 2. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methyl ionone 3.

Find more compounds similar to 3-Oxo-«alpha»-ionone.

Sources

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