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| CAS No.: | 376-72-7 |
|---|---|
| Name: | 5H-OCTAFLUOROPENTANOIC ACID |
| Molecular Structure: | |
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| Formula: | C5H2F8O2 |
| Molecular Weight: | 246.057 |
| Synonyms: | Valericacid, 2,2,3,3,4,4,5,5-octafluoro- (7CI,8CI);2,2,3,3,4,4,5,5,-Octafluoropentanoic acid;w-Hydrooctafluorovaleric acid;w-Hydroperfluorovaleric acid;w-Monohydrooctafluoropentanoicacid; |
| EINECS: | 206-812-3 |
| Density: | 1.642 g/cm3 |
| Melting Point: | °C |
| Boiling Point: | 158.8 °C at 760 mmHg |
| Flash Point: | 49.9 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 37.30000 |
| LogP: | 2.24200 |
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Specification
The Pentanoic acid,2,2,3,3,4,4,5,5-octafluoro- is an organic compound with the formula C5H2F8O2. The IUPAC name of this chemical is 2,2,3,3,4,4,5,5-octafluoropentanoic acid. With the CAS registry number 376-72-7, it is also named as octafluoropentanoic acid.
Physical properties about Pentanoic acid,2,2,3,3,4,4,5,5-octafluoro- are: (1)ACD/LogP: 4.05; (2)ACD/LogD (pH 5.5): 0.31; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.299; (13)Molar Refractivity: 27.94 cm3; (14)Molar Volume: 149.7 cm3; (15)Polarizability: 11.07×10-24cm3; (16)Surface Tension: 18.7 dyne/cm; (17)Density: 1.642 g/cm3; (18)Flash Point: 49.9 °C; (19)Enthalpy of Vaporization: 43.62 kJ/mol; (20)Boiling Point: 158.8 °C at 760 mmHg; (21)Vapour Pressure: 1.35 mmHg at 25°C.
Uses of Pentanoic acid,2,2,3,3,4,4,5,5-octafluoro-: it can be used to produce sodium 5H-octafluoropentanoate at temperature of 66 °C. It will need reagent Na2CO3 and solvent tetrahydrofuran with reaction time of 10 hours. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)F
(2)InChI: InChI=1/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)
(3)InChIKey: VGFKXVSMDOKOJZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)
(5)Std. InChIKey: VGFKXVSMDOKOJZ-UHFFFAOYSA-N