Chemical Properties of 5,5-Dimethyl-1,3-cyclohexanedione (CAS 3471-13-4)

5,5-Dimethyl-1,3-cyclohexanedione

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InChI
InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5H2,1-2H3
InChI Key
PQZVNKWTNLBLHJ-UHFFFAOYSA-N
Formula
C8H12O2
SMILES
CC1(C)CC(=O)C=C(O)C1
Molecular Weight1
140.18
CAS
3471-13-4
Other Names
  • 5,5-Dimethyl-cyclohex-2-enone-3-ol
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Physical Properties

Property Value Unit Source
Δf -203.64 kJ/mol Joback Calculated Property
Δfgas -382.51 kJ/mol Joback Calculated Property
Δfus 6.44 kJ/mol Joback Calculated Property
Δvap 54.56 kJ/mol Joback Calculated Property
IE 9.45 eV NIST
log10WS -1.78 Crippen Calculated Property
logPoct/wat 1.817 Crippen Calculated Property
McVol 115.860 ml/mol McGowan Calculated Property
Pc 3965.51 kPa Joback Calculated Property
Tboil 566.37 K Joback Calculated Property
Tc 782.58 K Joback Calculated Property
Tfus 353.52 K Joback Calculated Property
Vc 0.426 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [283.38; 350.31] J/mol×K [566.37; 782.58] Show Hide
Cp,gas 283.38 J/mol×K 566.37 Joback Calculated Property
Cp,gas 295.89 J/mol×K 602.41 Joback Calculated Property
Cp,gas 307.76 J/mol×K 638.44 Joback Calculated Property
Cp,gas 319.06 J/mol×K 674.48 Joback Calculated Property
Cp,gas 329.87 J/mol×K 710.51 Joback Calculated Property
Cp,gas 340.26 J/mol×K 746.55 Joback Calculated Property
Cp,gas 350.31 J/mol×K 782.58 Joback Calculated Property

Similar Compounds

2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-. dimetan. Cyclohexanepropionic acid, 4,4-dimethyl-2,6-dioxo-. Copper, bis(2-acetyl-5,5-dimethyl-1,3-cyclohexanedionato)-. 2-Cyclohexenone,3-bromo,5,5-dimethyl-. Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-. 3,3-dimethylcyclohex-6-en-1-yl acetate. Dl-trans-5,6-di-tert-butyl-2-hydroxy-1,4-diketo-2-cyclohexene. 3-Chloro-5,5-dimethylcyclohex-2-enone. 3,3-dimethylcyclohex-6-en-1-yl propionate. 2-Cyclopenten-1-one, 5-butyl-3-methoxy-. 2-Cyclohexen-1-ol, 3,5,5-trimethyl-. 5«alpha»-Androstane-3,7,17-trione, TMS. 5«beta»-Androstane-3,17-dione, mono-TMS, (2-en). Isophorone.

Find more compounds similar to 5,5-Dimethyl-1,3-cyclohexanedione.

Sources

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