Chemical Properties of 1,4-Cyclohexanedione, 2,2,6-trimethyl- (CAS 20547-99-3)

1,4-Cyclohexanedione, 2,2,6-trimethyl-

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InChI
InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
InChI Key
HVHHZSFNAYSPSA-UHFFFAOYSA-N
Formula
C9H14O2
SMILES
CC1CC(=O)CC(C)(C)C1=O
Molecular Weight1
154.21
CAS
20547-99-3
Other Names
  • 2,6,6-Trimethyl-1,4-cyclohexanedione
  • 3,5,5-Trimethyl-1,4-cyclohexadione
  • 3,5,5-Trimethyl-1,4-cyclohexanedione
  • 2,2,6-Trimethyl-1,4-cyclohexanedione
  • 2,2,6-Trimethylcyclohexane-1,4-dione
  • 2,6,6-Trimethyl-1,4-cyclohexa-dione
  • Cyclohexan-1,4-dione, 2,2,6-trimethyl
  • Dihydrooxophorone
  • 1,4-cyclohexanedione-2,6,6-trimethyl

Physical Properties

Property Value Unit Source
Δf -209.03 kJ/mol Joback Calculated Property
Δfgas -455.27 kJ/mol Joback Calculated Property
Δfus 4.69 kJ/mol Joback Calculated Property
Δvap 43.09 kJ/mol Joback Calculated Property
log10WS -1.56 Crippen Calculated Property
logPoct/wat 1.581 Crippen Calculated Property
McVol 129.950 ml/mol McGowan Calculated Property
Pc 3103.64 kPa Joback Calculated Property
Inp [1168.50; 1208.00]   Show Hide
Inp 1183.00 NIST
Inp 1170.30 NIST
Inp 1168.50 NIST
Inp 1196.00 NIST
Inp 1208.00 NIST
Inp 1183.00 NIST
I [1740.00; 1794.00]   Show Hide
I 1787.00 NIST
I 1782.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1794.00 NIST
Tboil 556.08 K Joback Calculated Property
Tc 798.51 K Joback Calculated Property
Tfus 354.67 K Joback Calculated Property
Vc 0.483 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [323.74; 418.61] J/mol×K [556.08; 798.51] Show Hide
Cp,gas 323.74 J/mol×K 556.08 Joback Calculated Property
Cp,gas 341.55 J/mol×K 596.48 Joback Calculated Property
Cp,gas 358.48 J/mol×K 636.89 Joback Calculated Property
Cp,gas 374.59 J/mol×K 677.29 Joback Calculated Property
Cp,gas 389.95 J/mol×K 717.70 Joback Calculated Property
Cp,gas 404.60 J/mol×K 758.10 Joback Calculated Property
Cp,gas 418.61 J/mol×K 798.51 Joback Calculated Property

Similar Compounds

1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxobutyl). Cyclohexanone, 2,2,6-trimethyl-. 2,4,4-trimethylcyclohexanone. Cyclohexanone, 3,3,5-trimethyl-. 4a«beta»-Methyl-3,4,4a,5,6,7,8a«alpha»-hexahydronaphthalene-1(2H),7(8H)-dione. Cyclopentanone, 2,4,4-trimethyl-. Bicyclo[2.2.1]heptane-2,5-dione, 1,7,7-trimethyl-. propyl-(1-adamantyl) ketone. 6-Ketocholestan-3-one. Stigmastane-3,6-dione, (5«alpha»)-. 2,2,4,4-Tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione. Cyclopentanone, 2,2,4-trimethyl-. 2,5-Dimethylcyclohexanone. 1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aR-(4a«alpha»,7«beta»,8a«alpha»)]-. Valeranone.

Find more compounds similar to 1,4-Cyclohexanedione, 2,2,6-trimethyl-.

Sources

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