CAS No.355-49-7,PERFLUOROHEXADECANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	355-49-7
Name:	PERFLUOROHEXADECANE
Article Data:	21

Formula:	C₁₆F₃₄
Molecular Weight:	838.122
Synonyms:	Hexadecane,tetratriacontafluoro- (7CI,8CI,9CI);Perfluoro-n-hexadecane;Perfluorohexadecane;
EINECS:	206-588-7
Density:	1.751 g/cm³
Melting Point:	125-126°C
Boiling Point:	262.3 °C at 760 mmHg
Flash Point:	113.8 °C
Hazard Symbols:	Xi
PSA:	0.00000
LogP:	11.00520

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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