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CAS No.: | 24120-18-1 |
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Name: | BIS(1H,1H-PERFLUOROOCTYL)FUMARATE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C20H6F30O4 |
Molecular Weight: | 880.217 |
Synonyms: | 2-Butenedioicacid (E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester;Fumaric acid, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester(8CI);Bis(1,1-dihydroperfluorooctyl) fumarate; |
Density: | 1.681g/cm3 |
Melting Point: | 82 °C |
Boiling Point: | 365.3 °C at 760 mmHg |
Flash Point: | 168.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 24/25 |
PSA: | 52.60000 |
LogP: | 9.37720 |
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The 2-Butenedioic acid(2E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester (9CI), with the CAS registry number 24120-18-1, is also known as Bis(1H,1H-perfluorooctyl)fumarate 97%. It belongs to the product category of Monomer. This chemical's molecular formula is C20H6F30O4 and molecular weight is 880.2113. Its systematic name is called . When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You should avoid contacting it with skin and eyes.
Physical properties of 2-Butenedioic acid(2E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester (9CI): (1)ACD/LogP: 12.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.96; (4)ACD/LogD (pH 7.4): 12.96; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 18; (11)Index of Refraction: 1.316; (12)Molar Refractivity: 102.74 cm3; (13)Molar Volume: 523.3 cm3; (14)Surface Tension: 18.2 dyne/cm; (15)Density: 1.681 g/cm3; (16)Flash Point: 168.8 °C; (17)Enthalpy of Vaporization: 61.16 kJ/mol; (18)Boiling Point: 365.3 °C at 760 mmHg; (19)Vapour Pressure: 1.58E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(COC(=O)\C=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C20H6F30O4/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-53-5(51)1-2-6(52)54-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-2H,3-4H2/b2-1+
(3)InChIKey: PCINQRFLHHIVBS-OWOJBTEDBV