Chemical Properties of 1,3,5-Benzenetricarboxylic acid (CAS 554-95-0)

1,3,5-Benzenetricarboxylic acid

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InChI
InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI Key
QMKYBPDZANOJGF-UHFFFAOYSA-N
Formula
C9H6O6
SMILES
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
Molecular Weight1
210.14
CAS
554-95-0
Other Names
  • 1,3,5-Tricarboxybenzene
  • 5-Carboxyisophthalic acid
  • Trimesic acid
  • Trimesinic acid
  • Trimesitinic acid
  • benzene-1,3,5-tricarboxylic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3209.00 ± 0.88 kJ/mol NIST
Δf -679.17 kJ/mol Joback Calculated Property
Δfgas -809.93 kJ/mol Joback Calculated Property
Δfsolid -1190.10 ± 0.88 kJ/mol NIST
Δfus 29.39 kJ/mol Joback Calculated Property
Δvap 109.50 kJ/mol Joback Calculated Property
logPoct/wat 0.78 Crippen Calculated Property
Pc 5774.15 kPa Joback Calculated Property
Tboil 880.11 K Joback Calculated Property
Tc 1085.73 K Joback Calculated Property
Tfus 574.90 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 366.92 J/mol×K 880.11 Joback Calculated Property
η 0.00 Pa×s 880.11 Joback Calculated Property
ΔsubH 159.40 kJ/mol 573.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (alcohol) 3
>C=O (nonring) 3
=CH- (ring) 3

Similar Compounds

1,3-Benzenedicarboxylic acid. Ammonium acid m-phthalate. Ammonium m-phthalate. Benzoic acid, 3-formyl-. Benzoic acid, 3,5-dimethyl-. Benzoic acid, 3-methyl-. 1,3,5-Benzenetricarboxylic acid, trimethyl ester. 1,3-Benzenedicarboxylic acid, monomethyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. 3,5-(CH3)2-C6H3-COOCH3. Benzoic acid, 3,4-dimethyl-. Benzoic acid, 3-methyl-, methyl ester. 1,3,5-Benzenetricarboxylic acid, triethyl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. C8H7ClO2.

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