Chemical Properties of 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)- (CAS 27185-77-9)

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-

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InChI
InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChI Key
OBHGOXFSRVNKBS-AATRIKPKSA-N
Formula
C13H18O2
SMILES
CC(=O)C=CC1=C(C)C(=O)CCC1(C)C
Molecular Weight1
206.28
CAS
27185-77-9
Other Names
  • 3-Keto-«beta»-ionone
  • 2,4,4-Trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-one
  • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)-
  • 2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
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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 [1661.00; 1661.00]   Show Hide
Inp 1661.00 NIST
Inp 1661.00 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-«beta»-ionone. cis-3-Oxo-«alpha»-ionol. «alpha»-Isoamylionone. Eudesma-4,6-dien-3-one («beta»-cyperone). 4,6-Eudesmadiene-3,8-dione. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-. trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Allyl ionone. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. Cholesta-4,6-dien-3-one. Cis Megastigma-5,8-diene-4-one. Porosadien-7-one. Porosa-4,6-dien-7-one.

Find more compounds similar to 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-.

Sources

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