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78-30-8

78-30-8 structural image
Product Name: Tri-o-cresyl Phosphate
Formula: C21H21O4P
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless to pale-yellow, odorless liquid or solid (below 52 degrees F). [NIOSH]
Color/Form Colorless or pale yellow liquid
Odor Practically odorless
Boiling Point 410 °C
Melting Point 11 °C
Flash Point 437 °F ( 225 °C) (Closed cup)
Solubility Sparingly soluble in water
Density 1.1955 g/cu cm at 20 °C
Vapor Density Relative vapor density = 12.7 (air = 1)
Vapor Pressure 0.00002 [mmHg]
LogP 6.3
Stability/Shelf Life Stable, non-volatile
Autoignition Temperature 725 °F (385 °C)
Decomposition Decomposes on heating. This produces toxic fumes including phosphorus oxides.
Heat of Combustion -4.5283X10+8 J/kmol
Refractive Index Index of Refraction: 1.5575 at 20 °C/D
Collision Cross Section 192.43 Ų [M+Na]+ 182.39 Ų [M+H]+ 263.75 Ų [2M+Na]+
Kovats Retention Index 2545.2 2565.7
Other Experimental Properties Can react with oxidizing materials
Chemical Classes Other Classes -> Organophosphates, Other

COMPUTED DESCRIPTORS

Molecular Weight 368.4 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 368.11774614 g/mol
Monoisotopic Mass 368.11774614 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 416
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