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335-68-2

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Basic Information
CAS No.: 335-68-2
Name: 1,1,3,5,7,8-HEXACHLOROPERFLUOROOCTANE
Article Data: 4
Molecular Structure:
Molecular Structure of 335-68-2 (1,1,3,5,7,8-HEXACHLOROPERFLUOROOCTANE)
Formula: C8Cl6F12
Molecular Weight: 536.787
Synonyms: Octane,1,1,3,5,7,8-hexachlorododecafluoro- (6CI,7CI,8CI);
Density: 1.821 g/cm3
Boiling Point: 338.5 °C at 760 mmHg
Flash Point: 194.4 °C
PSA: 0.00000
LogP: 7.53860
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Specification

This chemical is called Octane,1,1,3,5,7,8-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8-dodecafluoro-, and its systematic name is 1,1,3,5,7,8-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8-dodecafluorooctane. With the molecular formula of C8Cl6F12. The CAS registry number of this chemical is 335-68-2.

Other characteristics of the Octane,1,1,3,5,7,8-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8-dodecafluoro- can be summarised as followings: (1)ACD/LogP: 11.04; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.04; (4)ACD/LogD (pH 7.4): 11.04; (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: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.39; (13)Molar Refractivity: 69.89 cm3; (14)Molar Volume: 294.6 cm3; (15)Polarizability: 27.7×10-24cm3; (16)Surface Tension: 24.5 dyne/cm; (17)Density: 1.821 g/cm3; (18)Flash Point: 194.4 °C; (19)Enthalpy of Vaporization: 55.88 kJ/mol; (20)Boiling Point: 338.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000192 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(Cl)(C(F)(F)C(Cl)(Cl)F)C(F)(F)C(Cl)(F)C(F)(F)C(Cl)(F)C(Cl)(F)F
2.InChI: InChI=1/C8Cl6F12/c9-1(15,5(20,21)3(11,17)8(14,25)26)4(18,19)2(10,16)6(22,23)7(12,13)24
3.InChIKey: NHRNQFMRKUFJPZ-UHFFFAOYAJ