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| CAS No.: | 3108-24-5 |
|---|---|
| Name: | ETHYL PERFLUOROOCTANOATE |
| Molecular Structure: | |
|
|
|
| Formula: | C10H5F15O2 |
| Molecular Weight: | 442.125 |
| Synonyms: | Octanoicacid, pentadecafluoro-, ethyl ester (6CI,7CI,8CI,9CI);Ethyl pentadecafluorooctanoate;Ethyl perfluorooctanoate; |
| EINECS: | 221-468-4 |
| Density: | 1,626 g/cm3 |
| Boiling Point: | 167.5 °C at 760 mmHg |
| Flash Point: | 58.3 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 4.92360 |
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Specification
The Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester, with the CAS registry number 3108-24-5, is also known as Ethyl pentadecafluorooctanoate. Its EINECS registry number is 221-468-4. This chemical's molecular formula is C10H5F15O2 and molecular weight is 442.121548. Its IUPAC name is called ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate. What's more, the product should be sealed and stored in cool and dry place.
Physical properties of Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester: (1)ACD/LogP: 7.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.38; (4)ACD/LogD (pH 7.4): 7.38; (5)ACD/BCF (pH 5.5): 240205.16; (6)ACD/BCF (pH 7.4): 240205.16; (7)ACD/KOC (pH 5.5): 247170.05; (8)ACD/KOC (pH 7.4): 247170.05; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.301; (12)Molar Refractivity: 52.36 cm3; (13)Molar Volume: 279.1 cm3; (14)Surface Tension: 16.5 dyne/cm; (15)Density: 1.583 g/cm3; (16)Flash Point: 58.3 °C; (17)Enthalpy of Vaporization: 40.4 kJ/mol; (18)Boiling Point: 167.5 °C at 760 mmHg; (19)Vapour Pressure: 1.69 mmHg at 25°C.
Uses of Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester: it can be used to produce perfluorooctanohydroxamic acid. This reaction will need reagent NH2OH and solvent methanol. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3
(3)InChIKey: JTOFFHFAQBLPTM-UHFFFAOYSA-N