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22692-80-4

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Basic Information
CAS No.: 22692-80-4
Name: 1-(4-ETHYLPHENYL)-2-(4-METHYLPHENYL)ACETYLENE
Article Data: 5
Molecular Structure:
Molecular Structure of 22692-80-4 (1-(4-ETHYLPHENYL)-2-(4-METHYLPHENYL)ACETYLENE)
Formula: C17H16
Molecular Weight: 220.314
Synonyms: 1-Ethyl-4-[(p-tolyl)ethynyl]benzene, 99+%;
Density: 1.02 g/cm3
Melting Point: 71-74 °C
Boiling Point: 340.8 °C at 760 mmHg
Flash Point: 153.6 °C
PSA: 0.00000
LogP: 3.95720
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Specification

The Benzene,1-ethyl-4-[2-(4-methylphenyl)ethynyl]-, with the CAS registry number of 22692-80-4, is also known as 1-Ethyl-4-[(p-tolyl)ethynyl]benzene, 99+%. This chemical's molecular formula is C17H16 and molecular weight is 220.31. What's more, its IUPAC name is 1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene.

Physical properties about the Benzene,1-ethyl-4-[2-(4-methylphenyl)ethynyl]- are: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32058.37; (6)ACD/BCF (pH 7.4): 32058.37; (7)ACD/KOC (pH 5.5): 58470.56; (8)ACD/KOC (pH 7.4): 58470.56; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 72.61 cm3; (15)Molar Volume: 214.7 cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 153.6 °C; (19)Enthalpy of Vaporization: 56.12 kJ/mol; (20)Boiling Point: 340.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000166 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ccc(cc1)C)c2ccc(cc2)CC
(2) InChI: InChI=1/C17H16/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h4-11H,3H2,1-2H3
(3) InChIKey: LFNSILZUJYWPJS-UHFFFAOYAD