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Hexapentacontane

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Name

Hexapentacontane

EINECS N/A
CAS No. 7719-82-6 Density 0.826 g/cm3
PSA 0.00000 LogP 22.09160
Solubility N/A Melting Point 96-99 °C
Formula C56H114 Boiling Point 604.7 °C at 760 mmHg
Molecular Weight 787.521 Flash Point 565.7 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 7719-82-6 (ALKANE C56) Hazard Symbols N/A
Synonyms

n-Hexapentacontane;

Article Data 3

Hexapentacontane Specification

The Hexapentacontane, with the CAS registry number 7719-82-6, is also known as n-Hexapentacontane. This chemical's molecular formula is C56H114 and molecular weight is 787.5. What's more, its systematic name is Hexapentacontane. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about Hexapentacontane are: (1)ACD/LogP: 30.51; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 53; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.461; (8)Molar Refractivity: 261.48 cm3; (9)Molar Volume: 952.9 cm3; (10)Polarizability: 103.66×10-24 cm3; (11)Surface Tension: 31.6 dyne/cm; (12)Density: 0.826 g/cm3; (13)Flash Point: 565.7 °C; (14)Enthalpy of Vaporization: 86.61 kJ/mol; (15)Boiling Point: 604.7 °C at 760 mmHg; (16)Vapour Pressure: 6.25E-14 mmHg at 25 °C.

Preparation of Hexapentacontane: this chemical is prepared by 1-Bromohexapentacontane. The reaction needs reagent Lithium triethylborohydride and solvent Tetrahydrofuran. The reaction time is 15 minutes with reaction temperature of 20 °C. The yield is about 34 %.

The Hexapentacontane can be obtained by 1-Bromohexapentacontane.

You can still convert the following datas into molecular structure:
(1) SMILES: C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C56H114/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3
(3) InChIKey: FIUOBKZPFQPHFG-UHFFFAOYAP 

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