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2781-11-5

2781-11-5 structural image
Product Name: Diethyl bis(2-hydroxyethyl)aminomethylphosphonate
Formula: C9H22NO5P
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Color/Form Dark amber liquid
Solubility In water, 900 g/L at 25 °C[US EPA; High Production Volume (HPV) Challenge Program. The HPV Voluntary Challenge Chemical List. Robust Summaries and Test Plans. Phosphonic Acid, [
Density Specific gravity: 1.160 at 25 °C/25 °C
Vapor Pressure 0.43 [mmHg]
LogP log Kow = -0.72 at 25 °C[US EPA; High Production Volume (HPV) Challenge Program. The HPV Voluntary Challenge Chemical List. Robust Summaries and Test Plans. Phosphonic Acid, [
Henry's Law Constant Henry's Law constant = 1.6X10-7 atm-cu m/mole at 25 °C /Estimated/
Viscosity 170 mPa-s at 25 °C
Dissociation Constants pKa= 5.6 /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.4X10-10 cu cm/molec-sec at 25 °C /Estimated/
Chemical Classes Other Classes -> Organophosphates, Other

COMPUTED DESCRIPTORS

Molecular Weight 255.25 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 255.12355980 g/mol
Monoisotopic Mass 255.12355980 g/mol
Topological Polar Surface Area 79.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 198
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