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| CAS No.: | 375-96-2 |
|---|---|
| Name: | PERFLUORONONANE |
| Molecular Structure: | |
|
|
|
| Formula: | C9F20 |
| Molecular Weight: | 488.067 |
| Synonyms: | Nonane,eicosafluoro- (6CI,7CI,8CI,9CI);Perfluorononane;icosafluorononane;Nonane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-eicosafluoro-; |
| EINECS: | -0 |
| Density: | 1.703 g/cm3 |
| Melting Point: | -16°C |
| Boiling Point: | 130.9 °C at 760 mmHg |
| Flash Point: | 43.6 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 23 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 6.55810 |
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Specification
The Nonane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-eicosafluoro-, with the CAS registry number 375-96-2, has the systematic name of icosafluorononane. It belongs to the following product categories: Fluorous Chemistry; Fluorous Solvents; Synthetic Organic Chemistry. And the molecular formula of the chemical is C9F20.
The characteristics of Nonane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-eicosafluoro- are as followings: (1)ACD/LogP: 8.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.32; (4)ACD/LogD (pH 7.4): 8.32; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 800706.56; (8)ACD/KOC (pH 7.4): 800706.56; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.258; (14)Molar Refractivity: 46.71 cm3; (15)Molar Volume: 286.4 cm3; (16)Polarizability: 18.51×10-24cm3; (17)Surface Tension: 12.2 dyne/cm; (18)Density: 1.703 g/cm3; (19)Flash Point: 43.6 °C; (20)Enthalpy of Vaporization: 35.33 kJ/mol; (21)Boiling Point: 130.9 °C at 760 mmHg; (22)Vapour Pressure: 11.7 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29
(3)InChIKey: UVWPNDVAQBNQBG-UHFFFAOYAB