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Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro-

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Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro-

EINECS 206-588-7
CAS No. 355-49-7 Density 1.751 g/cm3
PSA 0.00000 LogP 11.00520
Solubility N/A Melting Point 125-126°C
Formula C16F34 Boiling Point 262.3 °C at 760 mmHg
Molecular Weight 838.122 Flash Point 113.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 355-49-7 (PERFLUOROHEXADECANE) Hazard Symbols IrritantXi
Synonyms

Hexadecane,tetratriacontafluoro- (7CI,8CI,9CI);Perfluoro-n-hexadecane;Perfluorohexadecane;

Article Data 21

Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro- Specification

This chemical is called Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro-, and its systematic name is tetratriacontafluorohexadecane. With the molecular formula of C16F34, its molecular weight is 838.12. The CAS registry number of this chemical is 355-49-7.

Other characteristics of the Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro- can be summarised as followings: (1)ACD/LogP: 14.55; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.55; (4)ACD/LogD (pH 7.4): 14.55; (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: 13; (12)Index of Refraction: 1.269; (13)Molar Refractivity: 81.19 cm3; (14)Molar Volume: 478.6 cm3; (15)Polarizability: 32.18×10-24cm3; (16)Surface Tension: 13.2 dyne/cm; (17)Density: 1.751 g/cm3; (18)Flash Point: 113.8 °C; (19)Enthalpy of Vaporization: 47.99 kJ/mol; (20)Boiling Point: 262.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0179 mmHg at 25°C.

Production method of this chemical: The Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro- could be obtained by the reactant of perfluorononan-1-oic acid. This reaction needs the reagent of 6percent KOH, and the solvents of methanol,acetonitrile. The yield is 41 %. In addition, this reaction should be taken at the temperature of 40-45 °C.

The Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluoro- could be obtained by the reactant of perfluorononan-1-oic acid

You can still convert the following datas into molecular structure: 
1.SMILES: FC(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
2.InChI: InChI=1/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50
3.InChIKey: AQPUCGPFMVEJGS-UHFFFAOYAC

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