Perfluoro(2-methyl-3-pentanone) (756-13-8)

The cas register number of Perfluoro(2-methyl-3-pentanone) is 756-13-8. It also can be called as 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pentan-3-one and the Systematic name about this chemical is 3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-.

Physical properties about Perfluoro(2-methyl-3-pentanone) are: (1)ACD/LogP: 8.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.24; (4)ACD/LogD (pH 7.4): 8.24; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 721085; (8)ACD/KOC (pH 7.4): 721085; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07Ų; (13)Index of Refraction: 1.264; (14)Molar Refractivity: 31.66 cm³; (15)Molar Volume: 190.3 cm³; (16)Surface Tension: 13.6 dyne/cm; (17)Density: 1.66 g/cm³; (18)Flash Point: 9.1 °C; (19)Enthalpy of Vaporization: 30.25 kJ/mol; (20)Boiling Point: 60 °C at 760 mmHg; (21)Vapour Pressure: 196 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)C(F)(C(=O)C(F)(F)C(F)(F)F)C(F)(F)F
2.InChI: InChI=1/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
3.InChIKey: RMLFHPWPTXWZNJ-UHFFFAOYAW
4.Std. InChI: InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18