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| CAS No.: | 355-86-2 |
|---|---|
| Name: | PHOSPHORIC ACID TRIS(1H,1H,5H-OCTAFLUORO-N-PENTYL) ESTER |
| Molecular Structure: | |
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| Formula: | C15H9F24O4P |
| Molecular Weight: | 740.169 |
| Synonyms: | Tris(1,1,5-Trihydroperfluoropentyl)phosphate;Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate; |
| EINECS: | 206-595-5 |
| Density: | 1.638 g/cm3 |
| Melting Point: | -45 °C |
| Boiling Point: | 358.6 °C at 760 mmHg |
| Flash Point: | 170.7 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 54.57000 |
| LogP: | 8.65730 |
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Specification
This chemical is called 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, phosphate (3:1), and its IUPAC name is tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate. With the molecular formula of C15H9F24O4P, its molecular weight is 740.17. The CAS registry number of this chemical is 355-86-2.
Other characteristics of the 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, phosphate (3:1) can be summarised as followings: (1)ACD/LogP: 9.05; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.05; (4)ACD/LogD (pH 7.4): 9.05; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2002982.88; (8)ACD/KOC (pH 7.4): 2002982.88; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.31; (14)Molar Refractivity: 87.14 cm3; (15)Molar Volume: 451.6 cm3; (16)Polarizability: 34.54×10-24cm3; (17)Surface Tension: 18.4 dyne/cm; (18)Density: 1.638 g/cm3; (19)Flash Point: 170.7 °C; (20)Enthalpy of Vaporization: 58.03 kJ/mol; (21)Boiling Point: 358.6 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-05 mmHg at 25°C.
Production method of this chemical: The 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, phosphate (3:1) could be obtained by the reactant of 2,2,3,3,4,4,5,5-octafluoro-pentan-1-ol. This reaction needs the reagents of pyridine, phosphoryl chloride.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(COP(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)F
2.InChI: InChI=1/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2
3.InChIKey: BSOLVVCARHZLMT-UHFFFAOYAC