Heptacosane

Compound Structure:

Synonyms:

Heptacosane; n-Heptacosane

Compound ID:

NMPC-1096

PubChem ID:

Molecular Formula:

C27H56

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC

InChIKey:

BJQWYEJQWHSSCJ-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	380.7 g/mol
XLogP3	14.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	24
Exact Mass	380.438201786 g/mol
Monoisotopic Mass	380.438201786 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	208
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
Compound Is Canonicalized	Yes
Physical Description	White crystalline powder; [Alfa Aesar MSDS]
Boiling Point	442 °C
Melting Point	58.8 °C
Density	0.7796 g/cu cm at 60 °C
Solubility	Insoluble in ethanol; slightly soluble in ether
Vapor Pressure	1 Pa at 136.7 °C; 10 Pa at 168.8 °C; 100 Pa 206.5 °C; 1 kPa at 255.8 °C; 10 kPa at 323.3 °C; 100 kPa at 421.2 °C

Source: PubChem

Source Species:

Tithonia rotundifolia

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