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504-44-9

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Basic Information
CAS No.: 504-44-9
Name: 2,6,11,15-TETRAMETHYLHEXADECANE
Molecular Structure:
Molecular Structure of 504-44-9 (2,6,11,15-TETRAMETHYLHEXADECANE)
Formula: C20H42
Molecular Weight: 282.553
Synonyms: Crocetane(6CI);2,6,11,15-Tetramethylhexadecane;
Density: 0.784 g/cm3
Boiling Point: 322.9 °C at 760 mmHg
Flash Point: 150.4 °C
PSA: 0.00000
LogP: 7.47160
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Specification

The CAS registry number of Hexadecane,2,6,11,15-tetramethyl- is 504-44-9. This chemical's molecular formula is C20H42 and molecular weight is 282.55. What's more, both its IUPAC name and systematic name are the same which is called 2,6,11,15-Tetramethylhexadecane.

Physical properties about Hexadecane,2,6,11,15-tetramethyl- are: (1)ACD/LogP: 10.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.65; (4)ACD/LogD (pH 7.4): 10.65; (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: 1.437; (13)Molar Refractivity: 94.54 cm3; (14)Molar Volume: 360.1 cm3; (15)Polarizability: 37.47×10-24 cm3; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 0.784 g/cm3; (18)Flash Point: 150.4 °C; (19)Enthalpy of Vaporization: 54.24 kJ/mol; (20)Boiling Point: 322.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00051 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCC(CCCC(C)C)C)CC(C)CCCC(C)C
(2)InChI: InChI=1/C20H42/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h17-20H,7-16H2,1-6H3
(3)InChIKey: KKFZXXATNGJPJS-UHFFFAOYAC