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51801-69-5

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Basic Information
CAS No.: 51801-69-5
Name: 3,4'-DIMETHYLDIPHENYL ETHER
Article Data: 8
Molecular Structure:
Molecular Structure of 51801-69-5 (3,4'-DIMETHYLDIPHENYL ETHER)
Formula: C14H14O
Molecular Weight: 198.265
Synonyms: Ether,m-tolyl p-tolyl (6CI,7CI);3,4'-Dimethyldiphenyl ether;m-Tolyl p-tolyl ether;p-(m-Tolyloxy)toluene;1-methyl-3-(4-methylphenoxy)benzene;3-Methylphenyl 4-methylphenyl ether;
Density: 1.029 g/cm3
Boiling Point: 285.8 °C at 760 mmHg
Flash Point: 121.5 °C
PSA: 9.23000
LogP: 4.09570
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Specification

The Benzene,1-methyl-3-(4-methylphenoxy)-, with the CAS registry number 51801-69-5, has the systematic name of 1-methyl-3-(4-methylphenoxy)benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H14O.

The characteristics of Benzene,1-methyl-3-(4-methylphenoxy)- are as followings: (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): 4665.69; (6)ACD/BCF (pH 7.4): 4665.69; (7)ACD/KOC (pH 5.5): 14716.44; (8)ACD/KOC (pH 7.4): 14716.44; (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: 1.56; (14)Molar Refractivity: 62.34 cm3; (15)Molar Volume: 192.5 cm3; (16)Polarizability: 24.71×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.029 g/cm3; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 50.38 kJ/mol; (21)Boiling Point: 285.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00471 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)C)c2cc(ccc2)C
(2)InChI: InChI=1/C14H14O/c1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h3-10H,1-2H3
(3)InChIKey: DBKWISXILXVKEW-UHFFFAOYAB