Chemical Properties of BENZENEHEXACARBOXYLIC ACID (CAS 517-60-2)

BENZENEHEXACARBOXYLIC ACID

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InChI
InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChI Key
YDSWCNNOKPMOTP-UHFFFAOYSA-N
Formula
C12H6O12
SMILES
O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
Molecular Weight1
342.17
CAS
517-60-2
Other Names
  • 1,2,3,4,5,6-Benzenehexacarboxylic acid
  • Hexacarboxybenzene
  • Mellic acid
  • Mellitic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3280.90 ± 1.20 kJ/mol NIST
Δf -1480.02 kJ/mol Joback Calculated Property
Δfgas -1700.69 kJ/mol Joback Calculated Property
Δfsolid -2298.80 ± 1.20 kJ/mol NIST
Δfus 53.05 kJ/mol Joback Calculated Property
Δvap 188.44 kJ/mol Joback Calculated Property
logPoct/wat -0.12 Crippen Calculated Property
Pc 7133.40 kPa Joback Calculated Property
Tboil 1401.84 K Joback Calculated Property
Tc 1892.63 K Joback Calculated Property
Tfus 978.52 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 557.45 J/mol×K 1401.84 Joback Calculated Property
η 0.00 Pa×s 1401.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
-OH (alcohol) 6
>C=O (nonring) 6

Similar Compounds

Benzenepentacarboxylic acid. 1,2,4-Benzenetricarboxylic acid. 1,2,4,5-Benzene-tetracarboxylic acid. 1,2,3-Benzenetricarboxylic acid. Benzenepentacarboxylic acid, pentamethyl ester. 1,2,3,4-Benzenetetracarboxylic acid, tetramethyl ester. Benzenehexacarboxylic acid, hexamethyl ester. 1,2-Benzenedicarboxylic acid, 4-methyl-. 1,2,3,5-Benzenetetracarboxylic acid, tetramethyl ester. Pentamethylbenzoic acid. 2,3,4,5-Tetramethylbenzoic acid. 2,3,6-Trimethylbenzoic acid. 2,3,5,6-Tetramethylbenzoic acid. 1,2,4-Benzenetricarboxylic acid, trimethyl ester. 1,2,4,5-Benzenetetracarboxylic acid, tetramethyl ester.

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