CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [HSDB] |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Boiling Point | 230.3 °C |
| Melting Point | FREEZING POINT -90 °C |
| Flash Point | 121 °C |
| Solubility | SOL IN WATER |
| Density | 0.9310 @ 20 °C/20 °C |
| Vapor Pressure | 0.03 [mmHg] |
| Kovats Retention Index | 890 |
| Other Experimental Properties | WT/GAL 7.8 LB |
| Chemical Classes | Solvents -> Glycol Ethers (P Series) |
COMPUTED DESCRIPTORS
| Molecular Weight | 176.25 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 176.14124450 g/mol |
| Monoisotopic Mass | 176.14124450 g/mol |
| Topological Polar Surface Area | 38.7 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 85.8 |
| 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 |