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CAS No.: | 84145-17-5 |
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Name: | ALLYL PERFLUOROPENTANOATE |
Molecular Structure: | |
Formula: | C8H5F9O2 |
Molecular Weight: | 304.11 |
Synonyms: | Pentanoicacid, nonafluoro-, 2-propenyl ester (9CI);Allyl perfluoropentanoate;Prop-2-enyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;Prop-2-en-1-yl nonafluoropentanoate;Allyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate; |
EINECS: | 282-241-3 |
Density: | 1.459 g/cm3 |
Boiling Point: | 144.7 °C at 760 mmHg |
Flash Point: | 40.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.30000 |
LogP: | 3.18380 |
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The Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, 2-propen-1-yl ester-, with the CAS registry number 84145-17-5, is also known as Allyl perfluoropentanoate. Its EINECS number is 282-241-3. This chemical's molecular formula is C8H5F9O2 and molecular weight is 304.11. What's more, its IUPAC name is prop-2-enyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
Physical properties of Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, 2-propen-1-yl ester are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 5.3; (5)ACD/BCF (pH 5.5): 6328.74; (6)ACD/BCF (pH 7.4): 6328.74; (7)ACD/KOC (pH 5.5): 18305.21; (8)ACD/KOC (pH 7.4): 18305.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.325; (14)Molar Refractivity: 41.94 cm3; (15)Molar Volume: 208.3 cm3; (16)Polarizability: 16.62×10-24cm3; (17)Surface Tension: 18.1 dyne/cm; (18)Density: 1.459 g/cm3; (19)Flash Point: 40.9 °C; (20)Enthalpy of Vaporization: 38.17 kJ/mol; (21)Boiling Point: 144.7 °C at 760 mmHg; (22)Vapour Pressure: 5.04 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2
(3)InChIKey: OUJAXDQRZMGUOM-UHFFFAOYSA-N