CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,2,4-trichlorobenzene appears as colorless liquid or white solid with a sharp chlorobenzene odor. Melting point 16.95 °C (62.5 °F). (USCG, 1999) |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Aromatic odor |
| Boiling Point | 415 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 63 °F (NTP, 1992) |
| Flash Point | 230 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.454 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 6.26 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 101.1 °F ; 5 mmHg at 153.1 °F (NTP, 1992) |
| LogP | log Kow = 4.02 |
| Henry's Law Constant | Henry's Law constant = 1.42X10-3 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable at room temperature |
| Autoignition Temperature | 1060 °F (USCG, 1999) |
| Decomposition | When heated to decomp, it emits toxic fumes of /hydrogen chloride/. |
| Heat of Vaporization | 280 J/g |
| Odor Threshold | Odor Threshold Low: 2.96 [mmHg] Odor threshold from AIHA |
| Refractive Index | Index of refraction: 1.5717 at 20 °C/D |
| Kovats Retention Index | 1141.6 1158.5 1150 1157 1162 1168 1152 1160 1193 1177 1193 1177 1183 1193 1177 1186 1161 1166 1177 1187.6 1161.4 1148.7 1175.5 1174 1158 1145 1142 1144 1145 1149 1147.1 1155.4 1150 1150 1154 |
| Other Experimental Properties | Enthalpy of fusion: 16.4 kJ/mol |
| Chemical Classes | Solvents -> Chlorinated Aromatics |
COMPUTED DESCRIPTORS
| Molecular Weight | 181.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.930033 g/mol |
| Monoisotopic Mass | 179.930033 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 94.3 |
| 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
1,2,4-trichlorobenzene appears as colorless liquid or white solid with a sharp chlorobenzene odor. Melting point 16.95 °C (62.5 °F). (USCG, 1999)