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Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-

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Name

Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-

EINECS N/A
CAS No. 7434-96-0 Density 1.179 g/cm3
PSA 17.07000 LogP 3.14100
Solubility N/A Melting Point N/A
Formula C14H12O Boiling Point 373.8 °C at 760 mmHg
Molecular Weight 196.249 Flash Point 166 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7434-96-0 (1-(1,2-DIHYDROACENAPHTHYLEN-3-YL)ETHANONE) Hazard Symbols N/A
Synonyms

Ketone,3-acenaphthenyl methyl (7CI,8CI);Acenaphthene, 3-acetyl-;

Article Data 19

Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)- Specification

The Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)-, with the CAS registry number 7434-96-0, is also known as 1-(1,2-Dihydroacenaphthylen-3-yl)ethan-1-one. This chemical's molecular formula is C14H12O and molecular weight is 196.2445. What's more, both its IUPAC name and systematic name are the same which is called 1-(1,2-Dihydroacenaphthylen-3-yl)ethanone.

Physical properties about Ethanone,1-(1,2-dihydro-3-acenaphthylenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 340.4; (6)ACD/BCF (pH 7.4): 340.4; (7)ACD/KOC (pH 5.5): 2259.47; (8)ACD/KOC (pH 7.4): 2259.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 61.68 cm3; (15)Molar Volume: 166.4 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.179 g/cm3; (18)Flash Point: 166 °C; (19)Enthalpy of Vaporization: 62.11 kJ/mol; (20)Boiling Point: 373.8 °C at 760 mmHg; (21)Vapour Pressure: 8.75E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccc1cccc3c1c2CC3)C
(2) InChI: InChI=1/C14H12O/c1-9(15)12-7-5-10-3-2-4-11-6-8-13(12)14(10)11/h2-5,7H,6,8H2,1H3
(3) InChIKey: XYMJPWIZLGKEEO-UHFFFAOYAU

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