Chemical Properties of 1,3-Isobenzofurandione, 5,6-dichloro- (CAS 942-06-3)

1,3-Isobenzofurandione, 5,6-dichloro-

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InChI
InChI=1S/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
InChI Key
ULSOWUBMELTORB-UHFFFAOYSA-N
Formula
C8H2Cl2O3
SMILES
O=C1OC(=O)c2cc(Cl)c(Cl)cc21
Molecular Weight1
217.01
CAS
942-06-3
Other Names
  • 4,5-dichlorophthalic anhydride
Sources

Physical Properties

Property Value Unit Source
Δf -186.70 kJ/mol Joback Calculated Property
Δfgas -352.07 kJ/mol Joback Calculated Property
Δfus 21.81 kJ/mol Joback Calculated Property
Δvap 59.66 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 4162.33 kPa Joback Calculated Property
Tboil 586.20 K NIST
Tc 943.03 K Joback Calculated Property
Tfus 488.93 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.24 J/mol×K 672.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-O- (ring) 1
>C=O (ring) 2
-Cl 2
=CH- (ring) 2

Similar Compounds

1,3-Isobenzofurandione, 5-chloro-. 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-. Phthalide, 4,5,6,7-tetrachloro-. Phthalic anhydride. Benzoic acid, 3-chloro-, anhydride. 1(3H)-Isobenzofuranone. Phthalic acid, di(2,4,6-trichlorobenzyl) ester. 4-Methylphthalic anhydride. Terephthalic acid, 4-chloro-2-methylbenzyl ethyl ester. 1,3-Isobenzofurandione, 4-methyl-. Trimellitic anhydride. Terephthalic acid, 4-chloro-2-methylbenzyl propyl ester. 2-Methylbenzoic acid anhydride. Phthalic acid, 2,5-dichlorobenzyl undecyl ester. Naphtho[1,2-c]furan-1,3-dione.

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