CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless oily liquid with a heavy, sweet, fruity-floral odour |
|---|---|
| Boiling Point | 215.00 to 218.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 1.005-1.011 |
| LogP | 3.18 |
| Refractive Index | 1.492-1.497 |
| Kovats Retention Index | 1183 1186 1191 1189 1172 1185 1223 1192 1194 1205 1189 1177 1188.6 1193 |
COMPUTED DESCRIPTORS
| Molecular Weight | 164.20 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.083729621 g/mol |
| Monoisotopic Mass | 164.083729621 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 146 |
| 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
Isopropyl benzoate is a benzoate ester.