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5921-83-5

5921-83-5 structural image
Product Name: HEPTAN-3-YLACETATE
Formula: C9H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid
Boiling Point 185.00 °C. @ 760.00 mm Hg
Solubility Insoluble in water; soluble in fats
Density 0.858-0.867
Refractive Index 1.406-1.414
Kovats Retention Index 1040

COMPUTED DESCRIPTORS

Molecular Weight 158.24 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 158.130679813 g/mol
Monoisotopic Mass 158.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-Heptyl acetate is a carboxylic ester.