pentacosane(CAS No. 629-99-2)

pentacosane C25H52 (cas 629-99-2) Molecular Structure

629-99-2 Structure

Identification and Related Records

【Name】
pentacosane
【Iupac name】
pentacosane
【CAS Registry number】
629-99-2
【Synonyms】
99%
n-Pentacosane
【EINECS(EC#)】
211-123-6
【Molecular Formula】
C25H52 (Products with the same molecular formula)
【Molecular Weight】
352.6804
【Inchi】
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
【Canonical SMILES】
CCCCCCCCCCCCCCCCCCCCCCCCC
【MOL File】
629-99-2.mol

Chemical and Physical Properties

【Density】
0,778 g/cm3
【Melting Point】
53-56 °C(lit.)
【Boiling Point】
169-170 °C0.05 mm Hg(lit.)
【Refractive Index】
1.4380
【Flash Point】
>230 °F
【Computed Properties】
Molecular Weight:352.68038 [g/mol]
Molecular Formula:C25H52
XLogP3:13.1
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:22
Exact Mass:352.406902
MonoIsotopic Mass:352.406902
Topological Polar Surface Area:0
Heavy Atom Count:25
Formal Charge:0
Complexity:186
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Safety Statements 】
22-24/25

Supplier Location

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Business Type:Manufacturer
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