CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid/apple-hazelnut, citrus odour |
|---|---|
| Boiling Point | 264.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in alcohol; insoluble in water |
| Density | 0.853-0.859 |
| Refractive Index | 1.427-1.430 |
| Collision Cross Section | 156.49 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
| Kovats Retention Index | 1558 |
COMPUTED DESCRIPTORS
| Molecular Weight | 228.37 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 228.208930132 g/mol |
| Monoisotopic Mass | 228.208930132 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 164 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nonyl isovalerate is a carboxylic ester.