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141-59-3

141-59-3 structural image
Product Name: 2,4,4-TRIMETHYL-2-PENTANETHIOL
Formula: C8H18S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [HSDB]
Color/Form Colorless liquid
Boiling Point 154-166 °C
Melting Point -74 °C
Flash Point 115 °F (46 °C) (Open cup)
Solubility Solubility in water: none
Density 0.848 at 15.5 °C
Vapor Density 5.0 (Air = 1)
Vapor Pressure 4.93 [mmHg]
Decomposition When heated to decomposition it emits very toxic fumes of /sulfur oxides/.
Refractive Index Index of refraction = 1.454 at 20 °C/D
Other Experimental Properties Liquid molar volume = 0.173885 cu m/kmol
Chemical Classes Toxic Gases & Vapors -> Other Toxic Gases & Vapors

COMPUTED DESCRIPTORS

Molecular Weight 146.30 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 146.11292175 g/mol
Monoisotopic Mass 146.11292175 g/mol
Topological Polar Surface Area 1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 87.2
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