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2-Hexanone,5-methyl-3-methylene-

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Name

2-Hexanone,5-methyl-3-methylene-

EINECS N/A
CAS No. 1187-87-7 Density 0.824 g/cm3
PSA 17.07000 LogP 2.17770
Solubility N/A Melting Point N/A
Formula C8H14O Boiling Point 170 °C at 760 mmHg
Molecular Weight 126.199 Flash Point 54.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1187-87-7 (5-Methyl-3-methylene-2-hexanone) Hazard Symbols N/A
Synonyms

4-Methyl-3-methylene-2-hexanone;5-Methyl-3-methylene-2-hexanone;

Article Data 10

2-Hexanone,5-methyl-3-methylene- Specification

The CAS register number of 2-Hexanone,5-methyl-3-methylene- is 1187-87-7. It also can be called as 4-Methyl-3-methylene-2-hexanone and the IUPAC name about this chemical is 5-methyl-3-methylidenehexan-2-one. The molecular formula about this chemical is C8H14O and the molecular weight is 126.1962.

Physical properties about 2-Hexanone,5-methyl-3-methylene- are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.56; (5)ACD/BCF (pH 7.4): 19.56; (6)ACD/KOC (pH 5.5): 292.41; (7)ACD/KOC (pH 7.4): 292.41; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 38.66 cm3; (13)Molar Volume: 152.9 cm3; (14)Polarizability: 15.32x10-24cm3; (15)Surface Tension: 23.8 dyne/cm; (16)Density: 0.824 g/cm3; (17)Flash Point: 54.1 °C; (18)Enthalpy of Vaporization: 40.64 kJ/mol; (19)Boiling Point: 170 °C at 760 mmHg; (20)Vapour Pressure: 1.5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C(=C)CC(C)C)C
(2)InChI: InChI=1/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3
(3)InChIKey: AGMJVYMZEAWWND-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3
(5)Std. InChIKey: AGMJVYMZEAWWND-UHFFFAOYSA-N

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