Chemical Properties of 1,3-Cyclohexanedione (CAS 504-02-9)

1,3-Cyclohexanedione

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChI Key
HJSLFCCWAKVHIW-UHFFFAOYSA-N
Formula
C6H8O2
SMILES
O=C1CCCC(=O)C1
Molecular Weight1
112.13
CAS
504-02-9
Other Names
  • Dihydroresorcinol
  • Cyclohexane-1,3-dione
  • Hydroresorcinol
  • Resorcinol, dihydro-
  • 1,3-Benzenediol, dihydro-
  • 1,3-Cyclohexandione

Physical Properties

Property Value Unit Source
PAff 881.20 kJ/mol NIST
BasG 849.40 kJ/mol NIST
Δcsolid -3079.00 ± 0.80 kJ/mol NIST
Δf -213.38 kJ/mol Joback Calculated Property
Δfgas -335.60 ± 1.60 kJ/mol NIST
Δfsolid -425.40 ± 1.10 kJ/mol NIST
Δfus 1.08 kJ/mol Joback Calculated Property
Δsub [89.80; 89.80] kJ/mol Show Hide
Δsub 89.80 ± 1.10 kJ/mol NIST
Δsub 89.80 ± 1.10 kJ/mol NIST
Δvap 38.18 kJ/mol Joback Calculated Property
IE [9.52; 9.60] eV Show Hide
IE 9.52 ± 0.05 eV NIST
IE 9.60 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
Tboil 496.54 K Joback Calculated Property
Tc 743.28 K Joback Calculated Property
Tfus 378.40 ± 2.00 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
ΔsubH 89.80 kJ/mol 298.15 NIST

Similar Compounds

Cyclohexanone. Cycloheptanone. Icosane-6,8-dione. Pentacosane-8,10-dione. Henicosane-6,8-dione. Nonacosane-6,8-dione. Hentriacontane-6,8-dione. Tritriacontane-6.8-dione. Docosane-6,8-dione. Tricosane-8,10-dione. 7,9-Docosanedione. Nonacosane-8,10-dione. Octacosane-6,8-dione. Heptacosane-8,10-dione. Octacosane-7,9-dione.

Find more compounds similar to 1,3-Cyclohexanedione.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.