Diethyl Terephthalate

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Molecular Formula:

C12H14O4

Molecular Weight:

222.24

CAS Number:

636-09-9

Catalog Number:

636-09-9

Product Information

Molecular Formula:

C12H14O4

Molecular Weight:

222.24

Description

Applications: Diethyl Terephthalate is a diester compound formed from terephthalic acid (T112500). Diethyl Terephthalate is used in the production of polyesters.

Synonyms

Diethyl Ester Terephthalic Acid||||NSC 68816||||p-Benzenedicarboxylic Acid Diethyl Ester||||p-Diethyl Phthalate||||1,4-Diethyl ester 1,4-benzenedicarboxylic Acid||||DMT

IUPAC Name

diethyl benzene-1,4-dicarboxylate

Canonical SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChI Key

ONIHPYYWNBVMID-UHFFFAOYSA-N

Boiling Point

302 °C

Melting Point

42-45 °C

Flash Point

117 °C

Density

1.11

Appearance

Off-White Solid

Storage

Refrigerator

Refractive Index

1.4560 (estimate)

Computed Properties

XLogP3

3.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.08920892 g/mol

Monoisotopic Mass

222.08920892 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

215

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

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Diethyl Terephthalate

Product Information

Computed Properties

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