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2-Butenedioic acid(2E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester (9CI)

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Name

2-Butenedioic acid(2E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester (9CI)

EINECS N/A
CAS No. 24120-18-1 Density 1.681g/cm3
PSA 52.60000 LogP 9.37720
Solubility N/A Melting Point 82 °C
Formula C20H6F30O4 Boiling Point 365.3 °C at 760 mmHg
Molecular Weight 880.217 Flash Point 168.8 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 24120-18-1 (BIS(1H,1H-PERFLUOROOCTYL)FUMARATE) Hazard Symbols IrritantXi
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;

Article Data 4

2-Butenedioic acid(2E)-, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) ester (9CI) Specification

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

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