Terephthalic Acid - Materials / Alfa Chemistry

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Terephthalic Acid

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Catalog Number

ACMA00017192

Product Name

Terephthalic Acid

Category

Polymers

Description

Terephthalic acid is a white powder. (NTP, 1992);DryPowder; PelletsLargeCrystals;Solid;WHITE CRYSTALLINE POWDER.;White powder

IUPAC Name

terephthalic acid

Molecular Weight

166.13g/mol

Molecular Formula

C8H6O4;C6H4(COOH)2;C8H6O4

Canonical SMILES

C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChI Key

KKEYFWRCBNTPAC-UHFFFAOYSA-N

Boiling Point

greater than 572 °F at 760 mm Hg (sublimes without melting) (NTP, 1992);>572°F (sublimes)

Melting Point

Sublimes (NTP, 1992);427 °C (sealed tube);>300°C;sublimes

Flash Point

500 °F (260 °C) (Open cup);260 °C

Density

1.51 (NTP, 1992);Specific gravity = 1.522 at 25 °C;Relative density (water = 1): 1.51;1.51

Solubility

Insoluble (NTP, 1992);9.03e-05 M;Insoluble in chloroform, ether, acetic acid; slightly soluble in alcohol; soluble in alkalies;Solubilities at 25 °C (g/100 g solvent): water = 0.0017, glacial acetic acid = 0.013, methanol = 0.1, dimethylformamide = 6.7, dimethyl sulfoxide = 19.0;In water, 15 mg/L at 20 °C;0.015 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 0.28

Application

Terephthalic acid serves a critical role as a key chemical precursor in the manufacturing of synthetic materials, prominently polyester fibers such as poly(ethylene terephthalate) (PET). Recognized for its utility in producing clothing and plastic bottles, this benzenedicarboxylic acid, characterized by carboxy groups on positions 1 and 4 of its benzene ring, is extensively utilized in global industries. While it exists as a white crystalline solid with limited solubility attributes and sublimates upon heating, its primary application is in the high-tonnage production of PET. The substantial worldwide consumption of terephthalic acid underscores its importance, with several million tonnes produced annually to meet the insatiable demand for PET, as well as other engineering polymers like poly(butylene terephthalate).

Color/Form

Needles;White crystals or powder

Complexity

169

Covalently-Bonded Unit Count

EC Number

202-830-0

Exact Mass

166.026609g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0330

Log P

2.0 (LogP);log Kow = 2.00;2.00;1.96

MeSH Entry Terms

disodium terephthalate;terephthalate;terephthalic acid

Monoisotopic Mass

166.026609g/mol

NSC Number

36973

Other Experimental

Sublimes at 402 °C;Vapor pressure: 1.3 kPa at 303 °C; 13.3 kPa at 353 °C; 26.7 kPa at 370 °C; 53.3 kPa at 387 °C; 101.3 kPa at 404 °C;Vapor pressure = 0.097 kPa at 250 °C;Henry's Law constant = 3.9X10-13 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-12 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

WZ0875000

UNII

6S7NKZ40BQ

Vapor Pressure

9.20e-06 mmHg;6X10-11 mm Hg at 25 °C /Antoine extrapolation from higher temperatures/;Vapor pressure, Pa at 20 °C:

XLogP3

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