CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless oily liquid with a sweet, floral-green odour |
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Solubility | insoluble in water; soluble in organic solvents, oils |
Density | 0.977-0.983 |
Refractive Index | 1.480-1.486 |
COMPUTED DESCRIPTORS
Molecular Weight | 192.25 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 192.115029749 g/mol |
Monoisotopic Mass | 192.115029749 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 181 |
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
1-Phenylethyl isobutyrate is a carboxylic ester. It is functionally related to a benzyl alcohol.