Pentadecane - CAS 629-62-9

Technical Data

IUPAC Name:	pentadecane
Description:	Pentadecane (CAS# 629-62-9) is used in preparation method of Graphene/Alkane composite coating for Aluminum Alloy plate belt.
Molecular Weight:	212.41
Molecular Formula:	C15H32
Canonical SMILES:	CCCCCCCCCCCCCCC
InChI:	InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChI Key:	YCOZIPAWZNQLMR-UHFFFAOYSA-N
Boiling Point:	270 °C
Melting Point:	9.9-271°C
Flash Point:	132°C
Purity:	99+ %
Density:	0.773 g/cm³
Solubility:	Other solvents(very soluble) : Ether, Alcohols
Appearance:	Colorless liquid.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008990
LogP:	6.09750
Refractive Index:	n20/D 1.431(lit.)
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.00343 [mmHg]

GHS Hazard Statement:	H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P301+P310, P331, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22970932	20121016	Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors	Environmental science & technology
22836827	20120901	Regeneration of complex oil-gland secretions and its importance for chemical defense in an oribatid mite	Journal of chemical ecology
22534114	20120515	Transitions from functionalization to fragmentation reactions of laboratory secondary organic aerosol (SOA) generated from the OH oxidation of alkane precursors	Environmental science & technology
22555293	20120503	Chemical composition, antimicrobial and antitumor activities of the essential oils and crude extracts of Euphorbia macrorrhiza	Molecules (Basel, Switzerland)
22136358	20120401	Chemical composition, antimicrobial, and cytotoxicity studies on S. erianthum and S. macranthum essential oils	Pharmaceutical biology

Complexity:	84.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.250401021
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.250401021
Rotatable Bond Count:	12
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.7