CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | O-chloroaniline is a clear amber liquid with an amine odor. Occurs in both alpha and beta forms. (NTP, 1992) |
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Color/Form | Amber liquid |
Odor | Characteristic sweet odor |
Boiling Point | 406 to 410 °F at 760 mmHg (NTP, 1992) |
Melting Point | 28.5 °F (NTP, 1992) |
Flash Point | 208 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Density | 1.213 at 68 °F (NTP, 1992) - Denser than water; will sink |
Vapor Density | 4.4 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
Vapor Pressure | 1 mmHg at 115.3 °F ; 5 mmHg at 162.1 °F; 760 mmHg at 407.8 °F (NTP, 1992) |
LogP | log Kow = 1.90 |
Henry's Law Constant | Henry's Law constant= 5.39X10-6 (atm-cu m)/mol at 25 °C /Estimated/ |
Stability/Shelf Life | Darkens on exposure to air. |
Autoignition Temperature | >/=500 °C |
Decomposition | When heated to decomposition, it emits toxic fumes of /hydrogen chloride and nitrogen oxides/. |
Viscosity | 2.9157 cP at 20 °C |
Heat of Vaporization | 13.565 kcal/mol at 25 °C; 10.60 kcal/mol at boiling point |
Surface Tension | 43.66 dynes/cm at 20 °C |
Ionization Efficiency | Positive |
Refractive Index | Index of refraction = 1.5895 at 20 °C/D |
Dissociation Constants | pKa = 2.661 at 25 °C (conjugate acid) |
Kovats Retention Index | 1095.4 1144 1093 1095 1097 1093 1093 1092 1094 1094 |
Other Experimental Properties | Antoine coefficients: A= 4.15776, B= 1646.915, C= -85.259; Temperature range= 46.3-208.3 °C |
Chemical Classes | Nitrogen Compounds -> Amines, Aromatic |
COMPUTED DESCRIPTORS
Molecular Weight | 127.57 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 127.0188769 g/mol |
Monoisotopic Mass | 127.0188769 g/mol |
Topological Polar Surface Area | 26 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 74.9 |
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-chloroaniline is a clear amber liquid with an amine odor. Occurs in both alpha and beta forms. (NTP, 1992)