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53040-92-9

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Basic Information
CAS No.: 53040-92-9
Name: 4-Methoxy-4'-methylbiphenyl
Article Data: 42
Molecular Structure:
Molecular Structure of 53040-92-9 (4-Methoxy-4'-methylbiphenyl)
Formula: C14H14O
Molecular Weight: 198.265
Synonyms: SPECS AB-131/11435003;4-METHOXY-4-METHYL-BIPHENYL;4-METHOXY-4-METHYLBIPHENYL;4-METHOXY-4-METHYL-1,1-BIPHENYL;AKOS BAR-1092;Anisole, p-(p-tolyl)- (7CI);4-Methyl-4-phenylanisole
Density: 1.016 g/cm3
Melting Point: 181-182℃
Boiling Point: 313.9 °C at 760 mmHg
Flash Point: 122.9 °C
PSA: 9.23000
LogP: 3.67060
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Specification

This chemical has the systematic name 4-Methoxy-4'-methylbiphenyl. With the CAS registry number 53040-92-9, it's also known as 1,1'-Biphenyl, 4-methoxy-4'-methyl-. Its molecular formula is C14H14O and its molecular weight is 198.26.

Other characteristics of the 4-Methoxy-4'-methylbiphenyl can be summarised as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1001.98; (6)ACD/BCF (pH 7.4): 1001.98; (7)ACD/KOC (pH 5.5): 4893.45; (8)ACD/KOC (pH 7.4): 4893.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 62.34 cm3; (15)Molar Volume: 194.9 cm3; (16)Polarizability: 24.71×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.016 g/cm3; (19)Flash Point: 122.9 °C; (20)Enthalpy of Vaporization: 53.29 kJ/mol; (21)Boiling Point: 313.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000889 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(c2ccc(c1ccc(cc1)C)cc2)C
2.InChI: InChI=1/C14H14O/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13/h3-10H,1-2H3
3.InChIKey: ASKBXZKXIBPNRA-UHFFFAOYAH