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13540-50-6

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Basic Information
CAS No.: 13540-50-6
Name: 2,5-Dimethyldiphenylmethane
Article Data: 78
Molecular Structure:
Molecular Structure of 13540-50-6 (2,5-Dimethyldiphenylmethane)
Formula: C15H16
Molecular Weight: 196.292
Synonyms: 2,5-Dimethyldiphenylmethane;2-Benzyl-1,4-dimethylbenzene;1,4-Dimethyl-2-(phenylmethyl)benzene;
Density: 0.974 g/cm3
Melting Point: 0.95°C (estimate)
Boiling Point: 296.6 °C at 760 mmHg
Flash Point: 135.4 °C
PSA: 0.00000
LogP: 3.89420
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Specification

The Benzene,1,4-dimethyl-2-(phenylmethyl)-, with the CAS registry number 13540-50-6, is also known as 2,5-Dimethyldiphenylmethane. This chemical's molecular formula is C15H16 and molecular weight is 196.29. What's more, its IUPAC name is 2-benzyl-1,4-dimethylbenzene.

Physical properties of Benzene,1,4-dimethyl-2-(phenylmethyl)- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4641.53; (6)ACD/BCF (pH 7.4): 4641.53; (7)ACD/KOC (pH 5.5): 14661.86; (8)ACD/KOC (pH 7.4): 14661.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 65.21 cm3; (15)Molar Volume: 201.3 cm3; (16)Polarizability: 25.85×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.974 g/cm3; (19)Flash Point: 135.4 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00251 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)Cc2cc(ccc2C)C
(2)Std. InChI: InChI=1S/C15H16/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
(3)Std. InChIKey: LJBGURBFHJJQQU-UHFFFAOYSA-N