CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 65.8 [mmHg] |
| Kovats Retention Index | 683.8 678.37 679.11 683 680.66 680.88 680.95 678 680.73 680.98 681 684.3 678 691.3 685 684 687 692 684.5 686.2 687.9 689.7 680 684 687 689 690 690 688.3 688.6 686 686 686 686 698 681 678 687 679.3 687 681 679.5 684 676 687 686 690 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 98.19 g/mol |
|---|---|
| XLogP3 | 3.2 |
| 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 | 49.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |