CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [ChemSampCo MSDS] |
|---|---|
| Vapor Pressure | 11.4 [mmHg] |
| Kovats Retention Index | 823.1 820.18 821.86 822.87 823 821 835.5 824.7 824.8 821 842 822 823.7 823 823 823 825 827.1 833 821 823 824 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.25 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 128.156500638 g/mol |
| Monoisotopic Mass | 128.156500638 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 66.6 |
| 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 |