Chemical Properties of 1,4-Cyclohexanedione (CAS 637-88-7)

1,4-Cyclohexanedione

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InChI
InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChI Key
DCZFGQYXRKMVFG-UHFFFAOYSA-N
Formula
C6H8O2
SMILES
O=C1CCC(=O)CC1
Molecular Weight1
112.13
CAS
637-88-7
Other Names
  • Tetrahydroquinone
  • 1,4-Dioxocyclohexane
  • Cyclohexane-1,4-dione

Physical Properties

Property Value Unit Source
PAff 812.50 kJ/mol NIST
BasG 782.70 kJ/mol NIST
Δcsolid -3096.80 ± 0.60 kJ/mol NIST
Δf -213.38 kJ/mol Joback Calculated Property
Δfgas -332.60 ± 1.20 kJ/mol NIST
Δfsolid -407.60 ± 1.00 kJ/mol NIST
Δfus 1.08 kJ/mol Joback Calculated Property
Δsub [75.00; 84.20] kJ/mol Show Hide
Δsub 75.00 ± 1.00 kJ/mol NIST
Δsub 75.00 ± 1.00 kJ/mol NIST
Δsub 84.20 kJ/mol NIST
Δvap 38.18 kJ/mol Joback Calculated Property
IE [9.65; 9.85] eV Show Hide
IE 9.85 eV NIST
IE 9.65 eV NIST
log10WS -0.79 Crippen Calculated Property
logPoct/wat 0.699 Crippen Calculated Property
McVol 87.680 ml/mol McGowan Calculated Property
Pc 4528.58 kPa Joback Calculated Property
I [1975.00; 1975.00]   Show Hide
I 1975.00 NIST
I 1975.00 NIST
Tboil 496.54 K Joback Calculated Property
Tc 743.28 K Joback Calculated Property
Tfus [350.00; 351.15] K Show Hide
Tfus 350.00 ± 1.00 K NIST
Tfus 351.15 ± 1.00 K NIST
Ttriple 351.60 ± 0.20 K NIST
Vc 0.320 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [186.73; 260.02] J/mol×K [496.54; 743.28] Show Hide
Cp,gas 186.73 J/mol×K 496.54 Joback Calculated Property
Cp,gas 200.45 J/mol×K 537.66 Joback Calculated Property
Cp,gas 213.64 J/mol×K 578.79 Joback Calculated Property
Cp,gas 226.25 J/mol×K 619.91 Joback Calculated Property
Cp,gas 238.21 J/mol×K 661.03 Joback Calculated Property
Cp,gas 249.49 J/mol×K 702.15 Joback Calculated Property
Cp,gas 260.02 J/mol×K 743.28 Joback Calculated Property
Cp,solid 161.40 J/mol×K 300.00 NIST
ΔfusH [0.96; 11.26] kJ/mol [322.20; 351.50] Show Hide
ΔfusH 6.15 kJ/mol 322.20 NIST
ΔfusH 0.96 kJ/mol 339.20 NIST
ΔfusH 10.04 kJ/mol 348.20 NIST
ΔfusH 10.04 kJ/mol 348.20 NIST
ΔfusH 11.26 kJ/mol 351.50 NIST
ΔsubH [75.00; 84.40] kJ/mol [289.00; 298.15] Show Hide
ΔsubH 84.40 kJ/mol 289.00 NIST
ΔsubH 75.00 kJ/mol 298.15 NIST
ΔfusS [2.83; 28.84] J/mol×K [322.20; 348.20] Show Hide
ΔfusS 19.09 J/mol×K 322.20 NIST
ΔfusS 2.83 J/mol×K 339.20 NIST
ΔfusS 28.84 J/mol×K 348.20 NIST

Similar Compounds

3,6-octanedione. 3,6-Heptanedione. Cyclohexanone. 1,4-Cyclooctanedione. 2,5-Hexanedione. 1,3-Cyclohexanedione. Cycloheptanone. Cyclooctanone. Cycloheptadecanone. Cyclooctadecanone. Cyclodecanone. Cyclopentadecanone. 1,10-Cycloeicosanedione. Cyclotetradecanone-. Cycloundecanone.

Find more compounds similar to 1,4-Cyclohexanedione.

Sources

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