Catalog Number
ACM-MO-121915
Product Name
Isophthalic Acid
Category
Heterocyclic Organic Compound
Description
Isophthalic acid is an organic compound with the formula C6H4(CO2H)2. This colourless solid is an isomer of phthalic acid and terephthalic acid.
Synonyms
m-Phthalic Acid;
Benzene-1,3-dicarboxylic Acid
IUPAC Name
benzene-1,3-dicarboxylic acid
Molecular Weight
166.13 g/mol
Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
QQVIHTHCMHWDBS-UHFFFAOYSA-N
Boiling Point
214.32°C (rough estimate)
Solubility
Insoluble in water.Soluble in methanol, acetone
Appearance
White to Almost White Powder to Crystal
Storage
Store under inert gas
Autoignition Temperature
700 °C
Color/Form
Crystalline powder;Colorless crystals;Needles from water or alcohol
Condition To Avoid
Hygroscopic
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and fumes.
Degree of solubility in water
0.13 g/l 25 °C
Exact Mass
166.026609g/mol
Hazard Statements
H320 : Causes eye irritation.
Heat of Vaporization
1.0921X10+8 J/kmol at the melting point of 619.15 K (346 °C)
Monoisotopic Mass
166.026609g/mol
Other Experimental
Heat of formation: -802 kJ/mol at 25 °C;VP: 0.009 Pa (0.0675 mm Hg) at 100 °C;Triple point temperature and pressure = 619.15 K (estimated to be equal to the melting point), 2.8020X10+3 Pa;Boiling point = 753.00 K (Based on predicted value for phthalic acid by Meissner's method with a suitable adjustment for isomerism based on similar compound relationships.);Melting point = 619.15 K (determined in sealed tube);Density = 9.0710 kmol/cu m at 20 °C;Heat of sublimation: 106.7 kJ/mol at 25 °C;log Kow = -2.34 at pH 7 (OECD 107 method);Henry's Law constant = 2.18X10-12 atm-cu m/mol at 25 °C(est);Hydroxyl radical reaction rate constant = 1.3X10-12 cu cm/molecule-sec at 25 °C (est)
Precautionary Statements
P264 : Wash skin thoroughly after handling.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Refractive Index
1.5100 (estimate)
Safety Description
24/25-36-26
Stability
Stable. Incompatible with strong oxidizing agents, strong bases.
Storage Conditions
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
2.6X10-8 mm Hg at 25 °C(est)
Viscosity
0.00025186 Pa-s at 619.15K (346 °C)
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