Chemical Properties of 4-Chloro-2,3,5,6-tetracarboxycyclohexadiene-2,5-one-1 (CAS 116277-81-7)

4-Chloro-2,3,5,6-tetracarboxycyclohexadiene-2,5-one-1

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InChI
InChI=1S/C10H5ClO9/c11-5-1(7(13)14)3(9(17)18)6(12)4(10(19)20)2(5)8(15)16/h5H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChI Key
LKHSBTWRNUYTOY-UHFFFAOYSA-N
Formula
C10H5ClO9
SMILES
O=C(O)C1=C(C(=O)O)C(Cl)C(C(=O)O)=C(C(=O)O)C1=O
Molecular Weight1
304.59
CAS
116277-81-7

Physical Properties

Property Value Unit Source
Δf -1118.31 kJ/mol Joback Calculated Property
Δfgas -1338.41 kJ/mol Joback Calculated Property
Δfus 40.83 kJ/mol Joback Calculated Property
Δvap 143.85 kJ/mol Joback Calculated Property
log10WS 0.45 Crippen Calculated Property
logPoct/wat -0.892 Crippen Calculated Property
McVol 175.870 ml/mol McGowan Calculated Property
Pc 5544.32 kPa Joback Calculated Property
Tboil 1155.44 K Joback Calculated Property
Tc 1424.18 K Joback Calculated Property
Tfus 802.58 K Joback Calculated Property
Vc 0.656 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [457.60; 490.79] J/mol×K [1155.44; 1424.18] Show Hide
Cp,gas 490.79 J/mol×K 1155.44 Joback Calculated Property
Cp,gas 489.40 J/mol×K 1200.23 Joback Calculated Property
Cp,gas 486.41 J/mol×K 1245.02 Joback Calculated Property
Cp,gas 481.78 J/mol×K 1289.81 Joback Calculated Property
Cp,gas 475.46 J/mol×K 1334.60 Joback Calculated Property
Cp,gas 467.41 J/mol×K 1379.39 Joback Calculated Property
Cp,gas 457.60 J/mol×K 1424.18 Joback Calculated Property

Similar Compounds

Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid. Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate. Venlafaxine-M (nor-HO-)-H2O AC. Dehydroaphylline. 5,6-Dehydro-17-oxosparteine. 11,12-Dehydroaphylline. Vomifoliol 1A, Gly, TFA. Fluspirilene. Vomifoliol 2A, Gly, TFA. Apazone. [(1R,8R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-4-hydroxy-3-methyl-but-2-enoate. 7«alpha»-Angeloyl-1-chloromethyl-1,2-dehydropyrrolizidine. 11-Ketoestradiol (enol), TMS. trans-Dehydroandrosterone, picolinyloxydimethylsilyl ether. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.

Find more compounds similar to 4-Chloro-2,3,5,6-tetracarboxycyclohexadiene-2,5-one-1.

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