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147492-59-9

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Basic Information
CAS No.: 147492-59-9
Name: 1-(PERFLUORO-N-HEXYL)DECANE
Article Data: 3
Molecular Structure:
Molecular Structure of 147492-59-9 (1-(PERFLUORO-N-HEXYL)DECANE)
Formula: C16H21F13
Molecular Weight: 460.322
Synonyms: 1-(Perfluoro-n-hexyl)decane;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadecane;
Density: 1.265 g/cm3
Boiling Point: 291.1 °C at 760 mmHg
Flash Point: 118.4 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 0.00000
LogP: 8.25600
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Specification

The Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-, with the CAS registry number 147492-59-9, is also known as 1-(Perfluoro-n-hexyl)decane. This chemical's molecular formula is C16H21F13 and molecular weight is 460.32. What's more, its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadecane.

Physical properties of Hexadecane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro- are: (1)ACD/LogP: 9.75; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 13; (4)Index of Refraction: 1.349; (5)Molar Refractivity: 78.09 cm3; (6)Molar Volume: 363.7 cm3; (7)Polarizability: 30.96×10-24cm3; (8)Surface Tension: 19.3 dyne/cm; (9)Density: 1.265 g/cm3; (10)Flash Point: 118.4 °C; (11)Enthalpy of Vaporization: 50.92 kJ/mol; (12)Boiling Point: 291.1 °C at 760 mmHg; (13)Vapour Pressure: 0.00348 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C16H21F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-10H2,1H3
(3)InChIKey: FEBCMJRMESQQMH-UHFFFAOYSA-N