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754-79-0

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Basic Information
CAS No.: 754-79-0
Name: PERFLUOROHEXALDEHYDE HYDRATE
Molecular Structure:
Molecular Structure of 754-79-0 (PERFLUOROHEXALDEHYDE HYDRATE)
Formula: C6H3F11O2
Molecular Weight: 316.07
Synonyms: Hexanal,undecafluoro- (7CI,8CI,9CI);2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-1,1-hexanediol;
Density: 1.725 g/cm3
Boiling Point: 159.5 °C at 760 mmHg
Flash Point: 50.3 °C
PSA: 40.46000
LogP: 2.40060
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Specification

The Hexanal,2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, with the CAS registry number 754-79-0, is also known as 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-1,1-hexanediol. This chemical's molecular formula is C6H3F11O2 and molecular weight is 316.07. What's more, its systematic name is 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexane-1,1-diol.

Physical properties about Hexanal,2,2,3,3,4,4,5,5,6,6,6-undecafluoro- are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 643.65; (6)ACD/BCF (pH 7.4): 643.19; (7)ACD/KOC (pH 5.5): 3564.76; (8)ACD/KOC (pH 7.4): 3562.21; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.302; (14)Molar Refractivity: 34.5 cm3; (15)Molar Volume: 183.1 cm3; (16)Polarizability: 13.67×10-24 cm3; (17)Surface Tension: 18.8 dyne/cm; (18)Density: 1.725 g/cm3; (19)Flash Point: 50.3 °C; (20)Enthalpy of Vaporization: 46.13 kJ/mol; (21)Boiling Point: 159.5 °C at 760 mmHg; (22)Vapour Pressure: 0.878 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(O)O)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6H3F11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18-19H
(3)InChIKey: KXQOFJJFAGOINP-UHFFFAOYAQ