Products Categories
CAS No.: | 59662-38-3 |
---|---|
Name: | 4-ACETYL-4'-N-PENTYLBIPHENYL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C19H22O |
Molecular Weight: | 266.38 |
Synonyms: | 4-Acetyl-4'-pentylbiphenyl; |
Density: | 0.991 g/cm3 |
Boiling Point: | 393.3 °C at 760 mmHg |
Flash Point: | 168.9 °C |
PSA: | 17.07000 |
LogP: | 5.28890 |
What can I do for you?
Get Best Price
The Ethanone, 1-(4'-pentyl[1, 1'-biphenyl]-4-yl)-, with the CAS registry number of 59662-38-3, is also known as 4-Acetyl-4'-pentylbiphenyl. This chemical's molecular formula is C19H22O and molecular weight is 266.38. What's more, its systematic name is called 1-(4'-Pentylbiphenyl-4-yl)ethanone.
Physical properties about Ethanone, 1-(4'-pentyl[1, 1'-biphenyl]-4-yl)- are: (1)ACD/LogP: 6.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.1; (4)ACD/LogD (pH 7.4): 6.1; (5)ACD/BCF (pH 5.5): 25323.98; (6)ACD/BCF (pH 7.4): 25323.98; (7)ACD/KOC (pH 5.5): 49389.38; (8)ACD/KOC (pH 7.4): 49389.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 84.32 cm3; (15)Molar Volume: 268.5 cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 0.991 g/cm3; (18)Flash Point: 168.9 °C; (19)Enthalpy of Vaporization: 64.32 kJ/mol; (20)Boiling Point: 393.3 °C at 760 mmHg; (21)Vapour Pressure: 2.15E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccc(c1ccc(cc1)CCCCC)cc2)C
(2) InChI: InChI=1/C19H22O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h7-14H,3-6H2,1-2H3
(3) InChIKey: ZXGQIVDWCGHUQO-UHFFFAOYAK