dipropyl adipate

Inquiry

Molecular Formula:

C12H22O4

Molecular Weight:

230.3

CAS Number:

106-19-4

Catalog Number:

106-19-4

Product Information

Molecular Formula:

C12H22O4

Molecular Weight:

230.3

Description

Liquid;Liquid;Clear colourless liquid; Light rubbing alcohol aroma

Synonyms

DIPROPYL ADIPATE; DI-N-PROPYL ADIPATE; ADIPIC ACID DI-N-PROPYL ESTER; Adipic acid, dipropyl ester; adipicacid,dipropylester; Dipropyl hexanedioate; dipropylhexanedioate; Hexanedioicacid,dipropylester

IUPAC Name

dipropyl hexanedioate

Canonical SMILES

CCCOC(=O)CCCCC(=O)OCCC

InChI

InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3

InChI Key

NKOUWLLFHNBUDW-UHFFFAOYSA-N

Boiling Point

155 °C/16 mmHg

Melting Point

-15.7°C

Flash Point

146 °C

Purity

>99.0%(GC)

Density

0.979

Solubility

Very slightly soluble in water;Soluble (in ethanol)

Appearance

Colorless to Almost colorless clear liquid

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Refractive Index

1.43

Stability

Stable under normal temperatures and pressures.

LogP

2.988 (est)

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

230.15180918 g/mol

Monoisotopic Mass

230.15180918 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

179

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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dipropyl adipate

Product Information

Computed Properties

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