Dimethyl Terephthalate - Materials / Alfa Chemistry

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Dimethyl Terephthalate

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Catalog Number

ACMA00016941

Product Name

Dimethyl Terephthalate

Category

Polymers

Description

Dimethyl terephthalate appears as white solid or heated colorless liquid. Has no odor. Liquid solidifies in cool water. Solid and liquid sink in water. (USCG, 1999);DryPowder; DryPowder, OtherSolid; OtherSolid; PelletsLargeCrystals;WHITE FLAKES.

IUPAC Name

dimethyl benzene-1,4-dicarboxylate

Molecular Weight

194.18g/mol

Molecular Formula

C6H4(COOCH3)2;C10H10O4;C10H10O4

Canonical SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3

InChI Key

WOZVHXUHUFLZGK-UHFFFAOYSA-N

Boiling Point

572 °F at 760 mm Hg (sublimes) (NTP, 1992);288.0 °C;288 °C;288 °C

Melting Point

284 to 288 °F (NTP, 1992);141.0 °C;141 °C;140 °C

Flash Point

308 °F (NTP, 1992);146 °C OC;308 °F (153 °C) (Open cup);141 °C c.c.

Density

1.2 at 68 °F 1.08 at 145°C (liquid) (USCG, 1999);1.075 g/cu cm at 141 °C;1.2 g/cm³

Solubility

less than 1 mg/mL at 55° F (NTP, 1992);9.78e-05 M;Soluble in ether and hot alcohol;Soluble in chloroform; slightly soluble in ethanol. methanol;0.3 G/ML IN HOT WATER;In water, 19 mg/L at 25 °C;Solubility in water at 13 °C: very poor

Color/Form

Colorlesss crystals;NEEDLES FROM ETHER

Complexity

192

Covalently-Bonded Unit Count

EC Number

204-411-8

Exact Mass

194.057909g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0262

Log P

2.25 (LogP);log Kow = 2.25;2.35

MeSH Entry Terms

dimethyl 4-phthalate;dimethyl p-phthalate;dimethyl terephthalate;dimethylterephthalate

Monoisotopic Mass

194.057909g/mol

NSC Number

3503

Other Experimental

Sublimes above 300 °C;Liquid molar volume = 0.180564 cu m/kmol (determined at triple point);Heat of fusion at melting point = 3.1630X10+7 J/kmol;VAPOR PRESSURE = 16 MM HG @ 100 °C;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Henry's Law constant = 1.34X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 5.74X10-13 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

WZ1225000

UNII

IKZ2470UNV

UN Number

2811

Vapor Density

6.7 (NTP, 1992) (Relative to Air);Relative vapor density (air = 1): 5.5

Vapor Pressure

16 mm Hg at 212 °F ; 140 mm Hg at 302° F (NTP, 1992);0.01 mmHg;1.06X10-2 mm Hg at 25 °C;Vapor pressure, Pa at 2.5 °C: 1.4

Viscosity