CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phosphonothioic acid, methyl-, s-(2-(bis(1-methylethyl)amino)ethyl) o-ethyl ester is an odorless liquid, with an amber color. Used as a quick-acting military chemical nerve agent. |
|---|---|
| Color/Form | Amber-colored liquid |
| Odor | Odorless |
| Boiling Point | 568 °F at 760 mmHg decomposes (EPA, 1998) |
| Melting Point | Freezing point below -60 °F (EPA, 1998) |
| Flash Point | 318.2 °F (EPA, 1998) |
| Solubility | In water, 30 g/L at 25 °C |
| Density | 1.0083 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Density | 9.2 (EPA, 1998) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.0007 mmHg at 77 °F (EPA, 1998) |
| LogP | log Kow = 2.09 |
| Odor Threshold | Half of a group of subjects smelled VX at a concentration of 3.9 mg/cu m. When two different stabilizers were added, the odor was detectable at 1.9 and 1.0 mg/cu m. However, the odor was not clearly described. |
| Dissociation Constants | pKa = 9.12 |
| Kovats Retention Index | 1664 1667 1664.1 1708 |
| Other Experimental Properties | Henry's Law constant = 1.0X10-8 atm-cu m/mol at 25 °C /derived from vapor pressure and water solubility/ |
| Chemical Classes | Toxic Gases & Vapors -> Chemical Weapons |
COMPUTED DESCRIPTORS
| Molecular Weight | 267.37 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 267.14218724 g/mol |
| Monoisotopic Mass | 267.14218724 g/mol |
| Topological Polar Surface Area | 54.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 226 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Phosphonothioic acid, methyl-, s-(2-(bis(1-methylethyl)amino)ethyl) o-ethyl ester is an odorless liquid, with an amber color. Used as a quick-acting military chemical nerve agent.