1-Pentanone, 1-(1-naphthalenyl)- supplier

Name
1-butyl naphthyl ketone
EINECS
CAS No. 2876-60-0
Article Data13
CAS DataBase
Density 1.037 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₆O
Boiling Point 345.4 °C at 760 mmHg
Molecular Weight 212.291
Flash Point 148.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(1-Naphthyl)pentan-1-one;1-(1-Naphthalenyl)-1-pentanone;
PSA 17.07000
LogP 4.21270

1-Pentanone, 1-(1-naphthalenyl)- Specification

The 1-Pentanone, 1-(1-naphthalenyl)-, with the CAS registry number 2876-60-0, is also known as 1-(1-Naphthalenyl)-1-pentanone. This chemical's molecular formula is C₁₅H₁₆O and molecular weight is 212.28. What's more, its systematic name is 1-(naphthalen-1-yl)pentan-1-one.

Physical properties of 1-Pentanone, 1-(1-naphthalenyl)- are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/BCF (pH 5.5): 1521.11; (5)ACD/KOC (pH 5.5): 6597.66; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 68.02 cm³; (12)Molar Volume: 204.5 cm³; (13)Polarizability: 26.96×10^-24cm³; (14)Surface Tension: 40.3 dyne/cm; (15)Density: 1.037 g/cm³; (16)Flash Point: 148.6 °C; (17)Enthalpy of Vaporization: 58.95 kJ/mol; (18)Boiling Point: 345.4 °C at 760 mmHg; (19)Vapour Pressure: 6.17E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cccc1ccccc12)CCCC
(2)InChI: InChI=1S/C15H16O/c1-2-3-11-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
(3)InChIKey: UNHVTPJHHPGYQZ-UHFFFAOYSA-N

Product Name

1-butyl naphthyl ketone

1-Pentanone, 1-(1-naphthalenyl)- Specification

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