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Basic Information
CAS No.: 13049-40-6
Name: 4,4'-DIETHYLBIPHENYL
Article Data: 5
Molecular Structure:
Molecular Structure of 13049-40-6 (4,4'-DIETHYLBIPHENYL)
Formula: C16H18
Molecular Weight: 210.319
Synonyms: Biphenyl,4,4'-diethyl- (6CI,7CI,8CI);4,4'-Diethylbiphenyl;p,p'-Diethylbiphenyl;
Density: 0.954 g/cm3
Melting Point: 82 °C
Boiling Point: 316.9 °C at 760 mmHg
Flash Point: 151.2 °C
PSA: 0.00000
LogP: 4.47840
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Specification

This chemical is called 1,1'-Biphenyl,4,4'-diethyl-, and its CAS registry number is 13049-40-6. With the molecular formula of C16H18, its molecular weight is 210.31.

Other characteristics of the 1,1'-Biphenyl,4,4'-diethyl- can be summarised as followings: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 19883.35; (6)ACD/BCF (pH 7.4): 19883.35; (7)ACD/KOC (pH 5.5): 41537.98; (8)ACD/KOC (pH 7.4): 41537.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 69.94 cm3; (14)Molar Volume: 220.3 cm3; (15)Polarizability: 27.72×10-24cm3; (16)Surface Tension: 34.4 dyne/cm; (17)Density: 0.954 g/cm3; (18)Flash Point: 151.2 °C; (19)Enthalpy of Vaporization: 53.61 kJ/mol; (20)Boiling Point: 316.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000739 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c2(c1ccc(cc1)CC)ccc(cc2)CC
2.InChI: InChI=1/C16H18/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
3.InChIKey: UMSGIWAAMHRVQI-UHFFFAOYAC