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Basic Information
CAS No.: 2923-68-4
Name: 3,5,7,8-TETRACHLOROPERFLUOROOCTANOIC ACID
Molecular Structure:
Molecular Structure of 2923-68-4 (3,5,7,8-TETRACHLOROPERFLUOROOCTANOIC ACID)
Formula: C8HCl4F11O2
Molecular Weight: 479.889
Synonyms: NSC 110749;2,2,3,4,4,5,6,6,7,8,8-Undecafluoro-3,5,7,8-tetrachlorooctanoic acid;
Density: 1.838 g/cm3
Boiling Point: 301.6 °C at 760 mmHg
Flash Point: 136.2 °C
PSA: 37.30000
LogP: 5.52230
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Specification

The Octanoic acid,3,5,7,8-tetrachloro-2,2,3,4,4,5,6,6,7,8,8-undecafluoro-, with the CAS registry number 2923-68-4, is also known as 2,2,3,4,4,5,6,6,7,8,8-Undecafluoro-3,5,7,8-tetrachlorooctanoic acid. This chemical's molecular formula is C8HCl4F11O2 and molecular weight is 479.8868. What's more, its IUPAC name and systematic name are the same which is called 3,5,7,8-Tetrachloro-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanoic acid.

Physical properties about Octanoic acid,3,5,7,8-tetrachloro-2,2,3,4,4,5,6,6,7,8,8-undecafluoro-: (1)ACD/LogP: 9.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.02; (5)ACD/BCF (pH 5.5): 2869.73; (6)ACD/BCF (pH 7.4): 2769.69; (7)ACD/KOC (pH 5.5): 902.33; (8)ACD/KOC (pH 7.4): 870.87; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.388; (14)Molar Refractivity: 61.63 cm3; (15)Molar Volume: 261 cm3; (16)Surface Tension: 27.2 dyne/cm; (17)Density: 1.838 g/cm3; (18)Flash Point: 136.2 °C; (19)Enthalpy of Vaporization: 59.59 kJ/mol; (20)Boiling Point: 301.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000244 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(F)(C(F)(F)C(=O)O)C(F)(F)C(Cl)(F)C(F)(F)C(Cl)(F)C(Cl)(F)F
(2) InChI: InChI=1/C8HCl4F11O2/c9-3(15,2(13,14)1(24)25)6(18,19)4(10,16)7(20,21)5(11,17)8(12,22)23/h(H,24,25)
(3) InChIKey: YSPJDMQUTGFRFK-UHFFFAOYAE