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307-98-2

Basic Information
CAS No.: 307-98-2
Name: 1H,1H-PERFLUOROOCTYL ACRYLATE
Article Data: 5
Molecular Structure:
Molecular Structure of 307-98-2 (1H,1H-PERFLUOROOCTYL ACRYLATE)
Formula: C11H5F15O2
Molecular Weight: 454.136
Synonyms: Acrylicacid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester (7CI,8CI);1-Octanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, acrylate (8CI);1,1-Dihydroperfluorooctyl acrylate;1H,1H-Pentadecafluorooctyl acrylate;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl prop-2-enoate;Pentadecafluorooctyl acrylate;
EINECS: 206-212-1
Density: 1.561 g/cm3
Boiling Point: 199.9 °C at 760 mmHg
Flash Point: 72.9 °C
Solubility: Insoluble in water
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi,FlammableF
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.30000
LogP: 5.08970
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Specification

The 2-Propenoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester, with the CAS registry number 307-98-2, is also known as 1H,1H-Perfluorooctyl acrylate. Its EINECS number is 206-212-1. It belongs to the product category of monomer. This chemical's molecular formula is C11H5F15O2 and molecular weight is 454.13. What's more, its systematic name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl prop-2-enoate. The product should be stored under cold condition.

Physical properties of 2-Propenoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester are: (1)ACD/LogP: 6.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.96; (4)ACD/LogD (pH 7.4): 6.96; (5)ACD/BCF (pH 5.5): 115015.45; (6)ACD/BCF (pH 7.4): 115015.45; (7)ACD/KOC (pH 5.5): 145904.03; (8)ACD/KOC (pH 7.4): 145904.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.314; (14)Molar Refractivity: 56.72 cm3; (15)Molar Volume: 290.7 cm3; (16)Polarizability: 22.48×10-24 cm3; (17)Surface Tension: 17.1 dyne/cm; (18)Density: 1.561 g/cm3; (19)Flash Point: 72.9 °C; (20)Enthalpy of Vaporization: 43.61 kJ/mol; (21)Boiling Point: 199.9 °C at 760 mmHg; (22)Vapour Pressure: 0.333 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)SMILES: FC(F)(COC(=O)\C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
(3)InChIKey: YSQGYEYXKXGAQA-UHFFFAOYSA-N