4-Pentanoylbiphenyl supplier | CasNO.42916-73-4

Name
1-[1,1'-BIPHENYL]-4-YL-1-PENTANONE
EINECS
CAS No. 42916-73-4
Article Data19
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point 76-78 °C
Formula C₁₇H₁₈O
Boiling Point 368.7 °C at 760 mmHg
Molecular Weight 238.329
Flash Point 158.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Biphenylyl)-1-pentanone;4-Valerylbiphenyl;p-Phenylvalerophenone;
PSA 17.07000
LogP 4.72650

4-Pentanoylbiphenyl Specification

The 1-Pentanone,1-[1,1'-biphenyl]-4-yl-, with the CAS registry number 42916-73-4, is also known as p-Valeroylbiphenyl. This chemical's molecular formula is C₁₇H₁₈O and molecular weight is 238.3242. Its IUPAC name is called 1-(4-phenylphenyl)pentan-1-one.

Physical properties of 1-Pentanone,1-[1,1'-biphenyl]-4-yl-: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4467.32; (6)ACD/BCF (pH 7.4): 4467.32; (7)ACD/KOC (pH 5.5): 14265.84; (8)ACD/KOC (pH 7.4): 14265.84; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 74.77 cm³; (13)Molar Volume: 235.7 cm³; (14)Surface Tension: 37.9 dyne/cm; (15)Density: 1.01 g/cm³; (16)Flash Point: 158.8 °C; (17)Enthalpy of Vaporization: 61.54 kJ/mol; (18)Boiling Point: 368.7 °C at 760 mmHg; (19)Vapour Pressure: 1.25E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C17H18O/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13H,2-3,9H2,1H3
(3)InChIKey: JXQDHVJDFYUJOK-UHFFFAOYSA-N

Product Name

1-[1,1'-BIPHENYL]-4-YL-1-PENTANONE

4-Pentanoylbiphenyl Specification

Related Products

Hot Products