Tridecane - CAS 629-50-5

Technical Data

IUPAC Name:	tridecane
Description:	Tridecane (CAS# 629-50-5) is used in preparation method of perovskite nanocrystalline ink for electroluminescent device.
Molecular Weight:	184.36
Molecular Formula:	C13H28
Canonical SMILES:	CCCCCCCCCCCCC
InChI:	InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
InChI Key:	IIYFAKIEWZDVMP-UHFFFAOYSA-N
Boiling Point:	234 °C
Melting Point:	-5.5 °C
Flash Point:	79°C
Purity:	95 %
Density:	0.756 g/cm³
Solubility:	In water, 0.0047 mg/L
Appearance:	Colourless liquid
Storage:	Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008979
LogP:	5.31730
Refractive Index:	1.424-1.426
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	less than 0.52 mmHg

GHS Hazard Statement:	H304 (95.04%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P301+P310, P331, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113480920-A	High-temperature corrosion-resistant seamless steel tube and preparation method thereof	20210723
CN-113307713-A	Method for preparing long-chain alkane by micro-channel-photocatalysis coupling	20210629
CN-113248764-A	Rubber surface treating agent, preparation method and rubber surface treatment process	20210621
CN-113355125-A	Method for preparing long-chain alkane from waste biological oil through selective hydrogenation	20210611
CN-113466393-A	Miniature gas chromatographic column capable of using air as carrier gas and its making method	20210611

PMID	Publication Date	Title	Journal
27965148	20170401	An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens	Toxicology in vitro : an international journal published in association with BIBRA
22542283	20120601	Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase	Bioorganic & medicinal chemistry
22210557	20120501	Cell surface properties of Pseudomonas stutzeri in the process of diesel oil biodegradation	Biotechnology letters
22352995	20120315	Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids	The journal of physical chemistry. B
22162874	20120301	Identification, functional characterization, and regulation of the enzyme responsible for floral (E)-nerolidol biosynthesis in kiwifruit (Actinidia chinensis)	Journal of experimental botany

Complexity:	66.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.219100893
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.219100893
Rotatable Bond Count:	10
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.6