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28652-72-4

28652-72-4 structural image
Product Name: methyl-1,1'-biphenyl
Formula: C13H12
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyl biphenyl (mixed isomers) is a clear light yellow liquid with an aromatic odor. (NTP, 1992)
Boiling Point 500 °F at 760 mmHg (NTP, 1992)
Melting Point Melting point: 2-methyl: -0.2 °C; 3-methyl: 4.5 °C; 4-methyl: 49-50 °C.
Flash Point 210 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 0.993 (NTP, 1992) - Less dense than water; will float
Vapor Density greater than 5 (NTP, 1992) (Relative to Air)
Vapor Pressure less than 0.1 mmHg at 100 °F (NTP, 1992)
LogP 4.14 /2-methyl, 3-methyl, 4-methyl biphenyl/
Autoignition Temperature 900 °F (NTP, 1992)
Decomposition Decomposes to CO and asphyxiants.
Kovats Retention Index 1388
Other Experimental Properties Sure Sol-170 boiling point: 241-268 °C; vapor pressure: 1.2 mm Hg at 20 °C; vapor density: 5.5; specific gravity 1.000. /sure sol-170 contains 38% methylbiphenyls, 25% biphenyl, 37% dimethyl naphthalenes by weight/
Chemical Classes Other Classes -> Aromatic Hydrocarbons

COMPUTED DESCRIPTORS

Molecular Weight 168.23 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 168.093900383 g/mol
Monoisotopic Mass 168.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 144
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

Methyl biphenyl (mixed isomers) is a clear light yellow liquid with an aromatic odor. (NTP, 1992)