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5730-92-7

Basic Information
CAS No.: 5730-92-7
Name: 4-ACETYL-4'-ETHYLBIPHENYL
Article Data: 26
Molecular Structure:
Molecular Structure of 5730-92-7 (4-ACETYL-4'-ETHYLBIPHENYL)
Formula: C16H16O
Molecular Weight: 224.302
Synonyms: 4'-Ethyl-4-acetylbiphenyl;Acetophenone,4'-(p-ethylphenyl)- (7CI,8CI);4-Acetyl-4'-ethylbiphenyl;
Density: 1.023 g/cm3
Boiling Point: 350.8 °C at 760 mmHg
Flash Point: 150.6 °C
PSA: 17.07000
LogP: 4.11860
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Specification

The Ethanone,1-(4'-ethyl[1,1'-biphenyl]-4-yl)-, with CAS registry number 5730-92-7, has the systematic name of 1-(4'-ethylbiphenyl-4-yl)ethanone. Besides this, it is also called 4-Acetyl-4'-ethylbiphenyl. Its molecular weight is 224.3. And the chemical formula of this chemical is C16H16O.

Physical properties of Ethanone,1-(4'-ethyl[1,1'-biphenyl]-4-yl)-: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1556.16; (6)ACD/BCF (pH 7.4): 1556.16; (7)ACD/KOC (pH 5.5): 6706.11; (8)ACD/KOC (pH 7.4): 6706.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 70.42 cm3; (15)Molar Volume: 219 cm3; (16)Polarizability: 27.91×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.023 g/cm3; (19)Flash Point: 150.6 °C; (20)Enthalpy of Vaporization: 59.54 kJ/mol; (21)Boiling Point: 350.8 °C at 760 mmHg; (22)Vapour Pressure: 4.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(cc1)c2ccc(cc2)C(C)=O
(2)InChI: InChI=1/C16H16O/c1-3-13-4-6-15(7-5-13)16-10-8-14(9-11-16)12(2)17/h4-11H,3H2,1-2H3
(3)InChIKey: JVHINSBYQLJNIW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H16O/c1-3-13-4-6-15(7-5-13)16-10-8-14(9-11-16)12(2)17/h4-11H,3H2,1-2H3
(5)Std. InChIKey: JVHINSBYQLJNIW-UHFFFAOYSA-N