Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro- (CAS 697-91-6)

2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChI Key
JCARTGJGWCGSSU-UHFFFAOYSA-N
Formula
C6H2Cl2O2
SMILES
O=C1C=C(Cl)C(=O)C(Cl)=C1
Molecular Weight1
176.99
CAS
697-91-6
Other Names
  • 2,6-Dichloquinone
  • 2,6-Dichloro-1,4-benzoquinone
  • 2,6-Dichloro-2,5-cyclohexa-diene-1,4-dione
  • 2,6-Dichloro-p-benzoquinone
  • 2,6-Dichlorobenzoquinone
  • 2,6-Dichloroquinone
  • NSC 6211
  • p-Benzoquinone, 2,6-dichloro-
  • p-Quinone, 2,6-dichloro-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid [-2449.70; -2422.00] kJ/mol Show Hide
Δcsolid -2449.70 ± 8.40 kJ/mol NIST
Δcsolid -2444.00 kJ/mol NIST
Δcsolid -2422.00 kJ/mol NIST
EA [2.48; 2.48] eV Show Hide
EA 2.48 ± 0.06 eV NIST
EA 2.48 ± 0.05 eV NIST
Δf -196.58 kJ/mol Joback Calculated Property
Δfgas -306.77 kJ/mol Joback Calculated Property
Δfsolid -254.00 kJ/mol NIST
Δfus 11.14 kJ/mol Joback Calculated Property
Δsub 69.90 ± 8.40 kJ/mol NIST
Δvap 48.86 kJ/mol Joback Calculated Property
log10WS -1.79 Crippen Calculated Property
logPoct/wat 1.384 Crippen Calculated Property
McVol 103.560 ml/mol McGowan Calculated Property
Pc 4339.67 kPa Joback Calculated Property
Tboil 579.68 K Joback Calculated Property
Tc 843.27 K Joback Calculated Property
Tfus 391.84 K Joback Calculated Property
Vc 0.390 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [193.18; 239.18] J/mol×K [579.68; 843.27] Show Hide
Cp,gas 193.18 J/mol×K 579.68 Joback Calculated Property
Cp,gas 202.21 J/mol×K 623.61 Joback Calculated Property
Cp,gas 210.81 J/mol×K 667.54 Joback Calculated Property
Cp,gas 218.88 J/mol×K 711.47 Joback Calculated Property
Cp,gas 226.34 J/mol×K 755.40 Joback Calculated Property
Cp,gas 233.14 J/mol×K 799.34 Joback Calculated Property
Cp,gas 239.18 J/mol×K 843.27 Joback Calculated Property
ΔsubH 69.90 ± 8.30 kJ/mol 294.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [414.68; 548.29] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.09045e+01
Coefficient B-8.54951e+03
Temperature range, min.414.68
Temperature range, max.548.29
Pvap 1.33 kPa 414.68 Calculated Property
Pvap 2.72 kPa 429.53 Calculated Property
Pvap 5.29 kPa 444.37 Calculated Property
Pvap 9.84 kPa 459.22 Calculated Property
Pvap 17.64 kPa 474.06 Calculated Property
Pvap 30.49 kPa 488.91 Calculated Property
Pvap 51.05 kPa 503.75 Calculated Property
Pvap 82.99 kPa 518.60 Calculated Property
Pvap 131.30 kPa 533.44 Calculated Property
Pvap 202.64 kPa 548.29 Calculated Property

Similar Compounds

2,5-Cyclohexadiene-1,4-dione, 2-chloro-. 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-. 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-. 2-Cl-5-Me-p-benzoquinone radical. p-Benzoquinone, 2,3,5,6-tetrachloro-. p-Benzoquinone. 2,6-Diiodo-p-benzoquinone. 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-. 2,5-Cyclohexadien-1-one, 4-(4-oxo-2,5-cyclohexadien-1-ylidene)-. Me-triCl-p-benzoquinone radical. 2,2,4,4,6-Pentachloro-5-cyclohexene-1,3-dione. p-Benzoquinone, 2-methyl-. 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-. 2,6-Dimethoxybenzoquinone. 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-.

Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro-.

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.