CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | mp = 24.5 deg C; [HSDB] Colorless liquid; mp = 24.0 deg C; [MSDSonline] |
|---|---|
| Boiling Point | 281 °C @ 760 MM HG |
| Melting Point | 24.5 °C |
| Flash Point | 286 °F CC |
| Solubility | INSOL IN WATER |
| Density | 0.9912 @ 20 °C/4 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5146 @ 20 °C/D; MAX ABSORPTION (95% ALC): LESS THAN 220 NM; SADTLER REFERENCE NUMBER: 6633 (IR, PRISM) |
| Chemical Classes | Pesticides -> Insect Repellents |
COMPUTED DESCRIPTORS
| Molecular Weight | 191.27 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.131014166 g/mol |
| Monoisotopic Mass | 191.131014166 g/mol |
| Topological Polar Surface Area | 20.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 173 |
| 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 |