CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Color/Form | Colorless liquid |
Odor | Odorless |
Boiling Point | 237 °C @ 5 mm Hg |
Melting Point | -78 °C |
Solubility | Insol in water; sol in ethanol, acetone, benzene |
Density | 0.915 @ 25 °C/4 °C |
Refractive Index | Index of refraction: 1.446 @ 25 °C/D |
Kovats Retention Index | 2669 |
Chemical Classes | Plastics & Rubber -> Other Plasticizers |
COMPUTED DESCRIPTORS
Molecular Weight | 412.6 g/mol |
---|---|
XLogP3 | 8.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 22 |
Exact Mass | 412.35526001 g/mol |
Monoisotopic Mass | 412.35526001 g/mol |
Topological Polar Surface Area | 52.6 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 358 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |