CHEMICAL AND PHYSICAL PROPERTIES
Vapor Pressure | -0.9 ± 0.02 [log Psd at 298.15 K (Pa)] |
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Enthalpy of Sublimation | 94.3 ± 4.4 [ΔsubHb (kJ/mol) at 296.3-318.3 K] |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H228:Flammable solids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 564.13 g/mol |
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XLogP3 | 7.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 22 |
Rotatable Bond Count | 10 |
Exact Mass | 564.0005062 g/mol |
Monoisotopic Mass | 564.0005062 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 34 |
Formal Charge | 0 |
Complexity | 731 |
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 |