CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | O-nitroaniline is an orange solid with a musty odor. Sinks and mixes slowly with water. (USCG, 1999) |
|---|---|
| Color/Form | Yellow-orange crystals from boiling water |
| Odor | Musty |
| Boiling Point | 543 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 160.7 °F (NTP, 1992) |
| Flash Point | 335 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Density | 1.44 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.77 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 219.2 °F ; <0.1 mmHg at 86 °F (NTP, 1992) |
| LogP | log Kow = 1.85 |
| Henry's Law Constant | Henry's Law constant = 5.90X10-8 atm-cu m/mol at 25 °C |
| Autoignition Temperature | 970 °F (USCG, 1999) |
| Decomposition | When heated to decomp it emits toxic fumes of /nitrogen oxides/. |
| Heat of Combustion | -10,000 Btu/lb= -5,550 cal/g= -232x10+5 J/kg |
| Ionization Efficiency | Positive |
| Dissociation Constants | pKa = -0.28 |
| Kovats Retention Index | 1402 1393.1 |
| Other Experimental Properties | Ideal Gas Heat of Formation = 6.38X10+7 Joules/kmol |
| Chemical Classes | Nitrogen Compounds -> Nitroanilines |
COMPUTED DESCRIPTORS
| Molecular Weight | 138.12 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 138.042927438 g/mol |
| Monoisotopic Mass | 138.042927438 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 132 |
| 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
O-nitroaniline is an orange solid with a musty odor. Sinks and mixes slowly with water. (USCG, 1999)