CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Aldrich MSDS] |
|---|---|
| Vapor Pressure | 76.2 [mmHg] |
| Kovats Retention Index | 669.7 662.3 663.04 668.5 665.52 665.59 665.48 665.63 666 671.1 665 675.5 675.8 675.9 676 676.1 676.8 673.3 677.4 671 675 679 671.7 673.6 675.4 676.9 669 671 673 675 677 679 675.9 676.1 674 674 674 683 672 666 670 671.4 674.1 673 668 673 663.8 672 665 675 673 677 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.19 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 98.109550447 g/mol |
| Monoisotopic Mass | 98.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 54.4 |
| 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 |