Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xi | |
Synonyms |
1,1,1,4,4,4-Hexafluorobutan-2-one; |
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