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2-Butanone,1,1,1,4,4,4-hexafluoro-

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Name

2-Butanone,1,1,1,4,4,4-hexafluoro-

EINECS N/A
CAS No. 400-49-7 Density 1.446 g/cm3
PSA 17.07000 LogP 2.07020
Solubility N/A Melting Point -56 °C
Formula C4H2F6O Boiling Point 35.2 °C at 760 mmHg
Molecular Weight 180.05 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 400-49-7 (1,1,1,4,4,4-HEXAFLUORO-2-BUTANONE) Hazard Symbols IrritantXi
Synonyms

1,1,1,4,4,4-Hexafluorobutan-2-one;

 

2-Butanone,1,1,1,4,4,4-hexafluoro- Specification

The CAS register number of 2-Butanone,1,1,1,4,4,4-hexafluoro- is 400-49-7. It also can be called as 1,1,1,4,4,4-Hexafluoro-2-butanone and the IUPAC name about this chemical is 1,1,1,4,4,4-hexafluorobutan-2-one. The molecular formula about this chemical is C4H2F6O and the molecular weight is 180.05.

Physical properties about 2-Butanone,1,1,1,4,4,4-hexafluoro- are: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.73; (4)ACD/BCF (pH 5.5): 69.4; (5)ACD/BCF (pH 7.4): 69.4; (6)ACD/KOC (pH 5.5): 723.86; (7)ACD/KOC (pH 7.4): 723.86; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.275; (12)Molar Refractivity: 21.52 cm3; (13)Molar Volume: 124.4 cm3; (14)Polarizability: 8.53x10-24cm3; (15)Surface Tension: 14.6 dyne/cm; (16)Enthalpy of Vaporization: 28.02 kJ/mol; (17)Boiling Point: 35.2 °C at 760 mmHg; (18)Vapour Pressure: 517 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CC(=O)C(F)(F)F
(2)InChI: InChI=1/C4H2F6O/c5-3(6,7)1-2(11)4(8,9)10/h1H2
(3)InChIKey: WRTVISAIMBSMEN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H2F6O/c5-3(6,7)1-2(11)4(8,9)10/h1H2
(5)Std. InChIKey: WRTVISAIMBSMEN-UHFFFAOYSA-N

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