CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [CHEMINFO] |
|---|---|
| Boiling Point | 181.1 °C |
| Melting Point | -83.9 °C |
| Flash Point | 56 °C |
| Solubility | Miscible in ethanol, ethyl ether and acetone |
| Density | 0.8602 @ 20 °C/4 °C |
| Vapor Pressure | 1.13 [mmHg] |
| LogP | log Kow= 4.44 |
| Autoignition Temperature | 806 °F (430 °C). /DIETHYLBENZENE/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 1.24X10-2 Pa.s @ 189.26 K |
| Heat of Vaporization | 5.56X10+7 J/kmol @ 189.26 K |
| Surface Tension | 4.1X10-2 N/m @ 189.26 K |
| Refractive Index | Index of refraction: 1.4955 @ 20 °C/D |
| Kovats Retention Index | 1040 1034.1 1049.74 1034.43 1034.64 1035 1033 1039.9 1039 1030 1030 1038.5 1040 1040 1040 1036 1038 1038 1040 1041 1034.8 1036 1050 1040 1045 1051 1033 1040.4 1045.3 1050.7 1031.5 1047 1053 1055 1056 1032.3 1031.5 1047 1039 1040 1040 1051 1038 1070 1035 1045.6 1029 1037 1037.9 1040 1035 1040 1038.5 1040 1040 1045 1045 1042 1032 1039 1036 1033 1034 1046 |
| Other Experimental Properties | Colorless liquid; wt/gal 7.22 lb /Diethylbenzene/ |
| Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 134.22 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.109550447 g/mol |
| Monoisotopic Mass | 134.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 76 |
| 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 |
PRODUCT INTRODUCTION
description
1,3-Diethylbenzene is a natural product found in Zingiber officinale with data available.