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

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

MSDS

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COA

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