CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Other Solid |
|---|---|
| Color/Form | Partially crystalline solid |
| Boiling Point | 265 °C (mixed isomer) |
| Melting Point | 14 °C (cis-isomer), 71 °C (trans-isomer) |
| Solubility | In water, 12,000 mg/L at 25 °C |
| Density | Specific gravity: 1.102 at 35 °C/4 °C |
| Vapor Density | 6.91 (Air = 1) |
| Vapor Pressure | 0.08 [mmHg] |
| Viscosity | 8 cP at 20 °C, 3.9 cP at 31.5 °C, 3.3 cP 44 °C, 2.2 cP at 60 °C |
| Heat of Combustion | -4.921X10+9 J/kmol |
| Refractive Index | Index of Refraction = 1.4580 at 20 °C |
| Chemical Classes | Other Classes -> Other Aromatic Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 200.23 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 200.10485899 g/mol |
| Monoisotopic Mass | 200.10485899 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 192 |
| 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 |