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Tridecane

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Tridecane

EINECS 211-093-4
CAS No. 629-50-5 Density 0.758 g/cm3
Solubility PRACTICALLY INSOLUBLE Melting Point -5.5 °C
Formula C13H28 Boiling Point 234.5 °C at 760 mmHg
Molecular Weight 184.41 Flash Point 101.7 °C
Transport Information Appearance colourless liquid
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 629-50-5 (Tridecane) Hazard Symbols IrritantXi
Synonyms

CactusNormal Paraffin N 13;N 13;N 13 (paraffin);NSC 66205;Paraffin N 13;n-Tridecane;

 

Tridecane Consensus Reports

Reported in EPA TSCA Inventory.

Tridecane Specification

The Tridecane is an organic compound with the formula C13H28. The IUPAC name of this chemical is tridecane. With the CAS registry number 629-50-5, it is also named as 6-Tridecane. The product's categories are Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Acyclic; Alkanes; Organic Building Blocks; Chemical Class; Hydrocarbons; Neats Alphabetic; TP - TZ; Alpha Sort; NeatsVolatiles/ Semivolatiles; T-ZAlphabetic. Besides, it is colourless liquid, which should be stored in a closed cool and dry place.

Physical properties about Tridecane are: (1)ACD/LogP: 7.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.66; (4)ACD/LogD (pH 7.4): 7.66; (5)ACD/BCF (pH 5.5): 392554.28; (6)ACD/BCF (pH 7.4): 392554.28; (7)ACD/KOC (pH 5.5): 351306.56; (8)ACD/KOC (pH 7.4): 351306.56; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.425; (11)Molar Refractivity: 62.27 cm3; (12)Molar Volume: 243.1 cm3; (13)Polarizability: 24.68×10-24cm3; (14)Surface Tension: 26 dyne/cm; (15)Density: 0.758 g/cm3; (16)Flash Point: 101.7 °C; (17)Enthalpy of Vaporization: 45.21 kJ/mol; (18)Boiling Point: 234.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0807 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyldodecanenitrile . This reaction will need reagent tetraethylammonium p-toluenesulfonate and solvent dimethylformamide. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCCCCCC)CCCC
(2)InChI: InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
(3)InChIKey: IIYFAKIEWZDVMP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
(5)Std. InChIKey: IIYFAKIEWZDVMP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1161mg/kg (1161mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation > 41ppm/8H (41ppm)   Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

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