CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methapyrilene is a clear colorless liquid. (NTP, 1992) |
|---|---|
| Color/Form | LIQUID |
| Boiling Point | 343 to 347 °F at 3 mmHg (NTP, 1992) |
| Melting Point | MP: 135-136 °C. /METHAPYRILENE FUMARATE/ |
| Solubility | 601 mg/L (at 30 °C) |
| Vapor Pressure | 7.0X10-4 mm Hg at 25 °C (extrapolated from vapor pressure data at higher temperatures, SRC) |
| LogP | 2.87 |
| LogS | -2.64 |
| Refractive Index | INDEX OF REFRACTION: 1.5915 @ 20 °C/D; MAX ABSORPTION (WATER): 238 NM (LOG E= 4.17), 304 NM (LOG E= 3.60) |
| Dissociation Constants | 8.85 (at 20 °C) |
| Kovats Retention Index | 1994 1965 1965 1975 1981 1993 1974 1980 1985 1979.7 1965 1981 1975 1975 339.6 |
| Other Experimental Properties | 1 G DISSOLVES IN: ABOUT 0.5 ML WATER, 3 ML CHLOROFORM, 5 ML ALCOHOL; PRACTICALLY INSOL IN ETHER, BENZENE; MP: 162 °C; MAX ABSORPTION: 238 NM (E= 623, 1%, 1 CM), MIN: 272 NM. /METHAPYRILENE HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 261.39 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 261.12996879 g/mol |
| Monoisotopic Mass | 261.12996879 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 235 |
| 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
Methapyrilene is a clear colorless liquid. (NTP, 1992)