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| CAS No.: | 375-84-8 |
|---|---|
| Name: | PERFLUOROHEPTANOYL FLUORIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C7F14O |
| Molecular Weight: | 366.054 |
| Synonyms: | Heptanoylfluoride, tridecafluoro- (6CI,8CI,9CI);(Perfluorohexyl)carbonyl fluoride;Perfluoroheptanoyl fluoride;Heptanoyl fluoride, tridecafluoro-;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride;Perfluoroheptanoyl fluoride;Perfluoroheptanoyl fluoride 98%; |
| EINECS: | 206-797-3 |
| Density: | 1.68 g/cm3 |
| Boiling Point: | 101 °C at 760 mmHg |
| Flash Point: | 29.5 °C |
| Appearance: | Clear liquid |
| Hazard Symbols: |
 C, Xi
|
| PSA: | 17.07000 |
| LogP: | 4.22130 |
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Specification
The Heptanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, with the CAS registry number 375-84-8, is also known as Heptanoyl fluoride, tridecafluoro-. Its EINECS number is 206-797-3. This chemical's molecular formula is C7F14O and molecular weight is 366.05. What's more, its systematic name is tridecafluoroheptanoyl fluoride.
Physical properties of Heptanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro- are: (1)ACD/LogP: 7.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.34; (4)ACD/LogD (pH 7.4): 7.34; (5)ACD/BCF (pH 5.5): 222883.42; (6)ACD/BCF (pH 7.4): 222883.42; (7)ACD/KOC (pH 5.5): 234276.67; (8)ACD/KOC (pH 7.4): 234276.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.267; (14)Molar Refractivity: 36.59 cm3; (15)Molar Volume: 217.7 cm3; (16)Polarizability: 14.5×10-24 cm3; (17)Surface Tension: 13.7 dyne/cm; (18)Density: 1.68 g/cm3; (19)Flash Point: 29.5 °C; (20)Enthalpy of Vaporization: 34.03 kJ/mol; (21)Boiling Point: 101 °C at 760 mmHg; (22)Vapour Pressure: 35.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(C(F)(F)C(F)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7F14O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
(3)InChIKey: XLIFBQWTSCGUEB-UHFFFAOYAL