Chemical Properties of 1,3-Cyclohexanedione, 5,5-dimethyl- (CAS 126-81-8)

1,3-Cyclohexanedione, 5,5-dimethyl-

InChI
InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChI Key
BADXJIPKFRBFOT-UHFFFAOYSA-N
Formula
C8H12O2
SMILES
CC1(C)CC(=O)CC(=O)C1
Molecular Weight1
140.18
CAS
126-81-8
Other Names
  • 1,1-Dimethyl-3,5-cyclohexanedione
  • 1,1-Dimethyl-3,5-diketocyclohexane
  • 5,5-Dimethyl-1,3-cyclohexadione
  • 5,5-Dimethyl-1,3-cyclohexanedione
  • 5,5-Dimethyl-1,3-dihydroresorcinol
  • 5,5-Dimethylcyclohexane-1,3-dione
  • 5,5-Dimethyldihydroresorcinol
  • 5,5-Dimethylhydroresorcinol
  • Cyclomethone
  • Dimedon
  • Dimedone
  • Lu 274
  • Medon
  • Methon
  • Methone
  • NSC 14984
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Physical Properties

Property Value Unit Source
ΔcH°solid -4379.70 ± 1.20 kJ/mol NIST
ΔfH°gas -383.60 ± 1.90 kJ/mol NIST
ΔfH°solid -483.40 ± 1.60 kJ/mol NIST
ΔfusH° 1.03 kJ/mol Joback Calculated Property
ΔsubH° [99.80; 99.80] kJ/mol Show Hide
ΔsubH° 99.80 ± 1.10 kJ/mol NIST
ΔsubH° 99.80 ± 1.10 kJ/mol NIST
IE 9.28 ± 0.05 eV NIST
log10WS -1.10 Relay (1.0) Calculated Property
logPoct/wat 1.335 Crippen Calculated Property
McVol 115.860 ml/mol McGowan Calculated Property
Inp [1101.00; 1176.00]   Show Hide
Inp 1101.00 NIST
Inp 1176.00 NIST
Inp 1101.00 NIST
Inp 1176.00 NIST
Tboil 485.05 K Relay (1.0) Calculated Property
Tfus [421.40; 421.40] K Show Hide
Tfus 421.40 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 421.40 ± 3.00 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [145.89; 422.72] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.71200e+01
Coefficient B8.41240e-01
Coefficient C-5.37000e-04
Coefficient D1.65600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 145.89 J/mol×K 273.00 Calculated Property
Cp,gas 190.61 J/mol×K 353.78 Calculated Property
Cp,gas 230.63 J/mol×K 434.56 Calculated Property
Cp,gas 266.45 J/mol×K 515.33 Calculated Property
Cp,gas 298.61 J/mol×K 596.11 Calculated Property
Cp,gas 327.62 J/mol×K 676.89 Calculated Property
Cp,gas 354.02 J/mol×K 757.67 Calculated Property
Cp,gas 378.32 J/mol×K 838.44 Calculated Property
Cp,gas 401.04 J/mol×K 919.22 Calculated Property
Cp,gas 422.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclohexanone, 3,3,5,5-tetramethyl-. Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-. 2,7-Octanedione, 4,4,5,5-tetramethyl-. 3,3-dimethylcyclohexanone. 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-. 1,3-Cyclohexanedione, 2,5,5-trimethyl-. 1,3-Cyclohexanedione, 4,4-dimethyl-. Cyclohexanone, 3,3,5-trimethyl-. NEOPENTYL ETHYL KETONE. 1-t-Butyl-2-hexanone. SPIRO[4.5]DECAN-2-ONE. 2,4-Heptanedione, 6-methyl-. Neopentyl isobutyl ketone. 2-Pentanone, 4,4-dimethyl-. 2(1H)-Naphthalenone, octahydro-8a-methyl-, trans-.

Find more compounds similar to 1,3-Cyclohexanedione, 5,5-dimethyl-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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