Vinyl-4-t-butyl benzoate

Inquiry

Molecular Formula:

C13H16O2

Molecular Weight:

204.267

CAS Number:

15484-80-7

Catalog Number:

15484-80-7

Product Information

Molecular Formula:

C13H16O2

Molecular Weight:

204.267

Description

Applications: Vinyl 4-tert-Butylbenzoate is a useful research chemical.

Synonyms

4-TERT-BUTYLBENZOIC ACID VINYL ESTER; TIMTEC-BB SBB006526; P-TERT-BUTYLBENZOIC ACID VINYL ESTER; VINYL 4-T-BUTYLBENZOATE; VINYL 4-TERT-BUTYLBENZOATE; VINYL P-TERT-BUTYLBENZOATE

IUPAC Name

ethenyl 4-tert-butylbenzoate

Canonical SMILES

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

InChI

InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3

InChI Key

ZLHVSEPPILCZHH-UHFFFAOYSA-N

Boiling Point

283.8°C at 760mmHg

Flash Point

124 °C

Purity

95%

Density

0.999 g/mL at 25 °C(lit.)

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

n20/D 1.518 (lit.)

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

204.115029749 g/mol

Monoisotopic Mass

204.115029749 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

229

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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Vinyl-4-t-butyl benzoate

Product Information

Computed Properties

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