Heptadecane - Standard for GC, ≥99.5%(GC) , CAS No.629-78-7

CAS: 629-78-7 Cat. No.: H104720 Fórmula: C₁₇H₃₆ Peso molecular: 240.47 Beilstein Registry Number: 1738898 Número CE: 211-108-4

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

Especificações e pureza

Standard for GC, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

528770199

Sorrisos canónicos

CCCCCCCCCCCCCCCCC

IUPAC Name

heptadecane

InChIKey

NDJKXXJCMXVBJW-UHFFFAOYSA-N

INCHI

1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCCCCCC

WGK Alemanha

3

RTECS

MI3550000

Peso molecular

240.47

Beilstein

1738898

Reaxy-Rn

1738898

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Índice de refração: 1.4369
• Ponto de inflamação (°F): 298.4℉
• Ponto de inflamação (°C): 148℃
• Ponto de ebulição (°C): 301.8°C
• Ponto de fusão (°C): 22°C
• Peso molecular: 240.500 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 240.282 Da
• Monoisotopic Mass: 240.282 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1