Chemical Properties of 1,2-Benzenedicarboxylic acid (CAS 88-99-3)

1,2-Benzenedicarboxylic acid

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InChI
InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
XNGIFLGASWRNHJ-UHFFFAOYSA-N
Formula
C8H6O4
SMILES
O=C(O)c1ccccc1C(=O)O
Molecular Weight1
166.13
CAS
88-99-3
Other Names
  • Acide phtalique
  • Benzene-1,2-dicarboxylic acid
  • Kyselina ftalova
  • Orthophthalic acid
  • Phthalic acid
  • Sunftal 20
  • o-Benzenedicarboxylic acid
  • o-Dicarboxybenzene
  • o-Phthalic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3223.50 ± 0.50 kJ/mol NIST
Δcsolid -3223.70 kJ/mol NIST
Δcsolid -3229.96 kJ/mol NIST
Δf -412.22 kJ/mol Joback Calculated Property
Δfgas -513.01 kJ/mol Joback Calculated Property
Δfsolid -782.12 kJ/mol NIST
Δfsolid -781.91 kJ/mol NIST
Δfus 21.50 kJ/mol Joback Calculated Property
Δsub 129.80 ± 0.60 kJ/mol NIST
Δvap 83.19 kJ/mol Joback Calculated Property
logPoct/wat 1.08 Crippen Calculated Property
Pc 5406.57 kPa Joback Calculated Property
solid,1 bar 207.94 J/mol×K NIST
Tboil 706.20 K Joback Calculated Property
Tc 907.67 K Joback Calculated Property
Tfus 480.00 ± 3.00 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 282.80 J/mol×K 706.2 Joback Calculated Property
Cp,solid 188.11 J/mol×K 298.1 NIST
Cp,solid 201.70 J/mol×K 323.0 NIST
Cp,solid 201.70 J/mol×K 323.0 NIST
η 0.00 Pa×s 706.2 Joback Calculated Property
ΔfusH 36.50 kJ/mol 463.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-OH (alcohol) 2
>C=O (nonring) 2
=CH- (ring) 4

Similar Compounds

Ammonium acid o-phthalate. Ammonium o-phthalate. Benzoic acid, 2-formyl-. Benzoic acid, 2-methyl-. Methyl hydrogen phthalate. Dimethyl phthalate. 1,2-Benzenedicarboxylic acid, 4-methyl-. Benzoic acid, 2,6-dimethyl-. Benzoic acid, 2,4-dimethyl-. 1,2,3-Benzenetricarboxylic acid. 1,2,4,5-Benzene-tetracarboxylic acid. 1,2,4-Benzenetricarboxylic acid. Phthalic acid, monoethyl ester. Diethyl phthalate. 1,2-Benzenedicarboxylic acid, ethyl methyl ester.

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