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Basic Information
CAS No.: 952-80-7
Name: 2,2'-DIMETHYLBIBENZYL
Molecular Structure:
Molecular Structure of 952-80-7 (2,2'-DIMETHYLBIBENZYL)
Formula: C16H18
Molecular Weight: 210.319
Synonyms: Bibenzyl,2,2'-dimethyl- (7CI,8CI);1,2-Bis(2-methylphenyl)ethane;1,2-Bis(o-methylphenyl)ethane;1,2-Di-o-tolylethane;1,2-Ditolylethane;2,2'-Dimethylbibenzyl;NSC 127020;
Density: 0.975 g/cm3
Melting Point: 61.85°C
Boiling Point: 302.2 °C at 760 mmHg
Flash Point: 139.7 °C
PSA: 0.00000
LogP: 4.08860
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Specification

The Benzene,1,1'-(1,2-ethanediyl)bis[2-methyl- is an organic compound with the formula C16H18. The IUPAC name of this chemical is 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene. With the CAS registry number 952-80-7, it is also named as 1,1'-Ethane-1,2-diylbis(2-methylbenzene). The product's category is Aromatic Esters.

Physical properties about Benzene,1,1'-(1,2-ethanediyl)bis[2-methyl- are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10979.3; (6)ACD/BCF (pH 7.4): 10979.3; (7)ACD/KOC (pH 5.5): 27153.9; (8)ACD/KOC (pH 7.4): 27153.9; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 69.93 cm3; (12)Molar Volume: 215.5 cm3; (13)Polarizability: 27.72×10-24cm3; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 0.975 g/cm3; (16)Flash Point: 139.7 °C; (17)Enthalpy of Vaporization: 52.07 kJ/mol; (18)Boiling Point: 302.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0018 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloromethyl-2-methyl-benzene. This reaction will need reagent Na and solvent tetrahydrofuran.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1C)CCc2ccccc2C
(2)InChI: InChI=1/C16H18/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
(3)InChIKey: QFEPNMCDSBNJDB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C16H18/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
(5)Std. InChIKey: QFEPNMCDSBNJDB-UHFFFAOYSA-N