CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [HSDB] Solid; [MSDSonline] |
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Color/Form | Colorless liquid |
Boiling Point | 201-210 °C @ 1 mm Hg |
Density | 0.926 @ 25 °C |
Vapor Pressure | 0.00000331 [mmHg] |
Viscosity | 14.9 cS @ 100 °F |
Refractive Index | Index of refraction: 1.4523 @ 20 °C/D |
Kovats Retention Index | 2484 2484 |
Other Experimental Properties | Ester of nonyl alcohol |
Chemical Classes | Plastics & Rubber -> Other Plasticizers |
COMPUTED DESCRIPTORS
Molecular Weight | 398.6 g/mol |
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XLogP3 | 8.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 23 |
Exact Mass | 398.33960994 g/mol |
Monoisotopic Mass | 398.33960994 g/mol |
Topological Polar Surface Area | 52.6 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 321 |
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 |