Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
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 | Hazard Symbols | Xi | |
Synonyms |
Hexadecane,tetratriacontafluoro- (7CI,8CI,9CI);Perfluoro-n-hexadecane;Perfluorohexadecane; |
Article Data | 21 |
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.
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