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4-Vinylbenzyl pentadecafluorooctanoate

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Name

4-Vinylbenzyl pentadecafluorooctanoate

EINECS N/A
CAS No. 230295-06-4 Density 1.518 g/cm3
PSA 26.30000 LogP 6.74690
Solubility N/A Melting Point N/A
Formula C17H9F15O2 Boiling Point 314.5 °C at 760 mmHg
Molecular Weight 530.23 Flash Point 139.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 230295-06-4 (4-VINYLBENZYL PERFLUOROOCTANOATE) Hazard Symbols IrritantXi
Synonyms

Octanoicacid, pentadecafluoro-, (4-ethenylphenyl)methyl ester (9CI);

 

4-Vinylbenzyl pentadecafluorooctanoate Specification

The 4-Vinylbenzyl pentadecafluorooctanoate is an organic compound with the formula C17H9F15O2. The systematic name of this chemical is 4-ethenylbenzyl pentadecafluorooctanoate. With the CAS registry number 230295-06-4, it is also named as octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, (4-ethenylphenyl)methyl ester. The product's category is Monomer.

Physical properties about 4-Vinylbenzyl pentadecafluorooctanoate are: (1)ACD/LogP: 9.22; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.22; (4)ACD/LogD (pH 7.4): 9.22; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2461809.5; (8)ACD/KOC (pH 7.4): 2461809.5; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.391; (13)Molar Refractivity: 83.14 cm3; (14)Molar Volume: 349.2 cm3; (15)Polarizability: 32.96×10-24cm3; (16)Surface Tension: 22.4 dyne/cm; (17)Density: 1.518 g/cm3; (18)Flash Point: 139.4 °C; (19)Enthalpy of Vaporization: 55.56 kJ/mol; (20)Boiling Point: 314.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000465 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCc1ccc(cc1)\C=C
(2)InChI: InChI=1/C17H9F15O2/c1-2-8-3-5-9(6-4-8)7-34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-6H,1,7H2
(3)InChIKey: YWVKVBIQFSFMMV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C17H9F15O2/c1-2-8-3-5-9(6-4-8)7-34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-6H,1,7H2
(5)Std. InChIKey: YWVKVBIQFSFMMV-UHFFFAOYSA-N

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