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| CAS No.: | 629-50-5 |
|---|---|
| Name: | n-Tridecane |
| Molecular Structure: | |
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| Formula: | C13H28 |
| Molecular Weight: | 184.365 |
| Synonyms: | CactusNormal Paraffin N 13;N 13;N 13 (paraffin);NSC 66205;Paraffin N 13;n-Tridecane; |
| EINECS: | 211-093-4 |
| Density: | 0.758 g/cm3 |
| Melting Point: | -5.5 °C |
| Boiling Point: | 234.5 °C at 760 mmHg |
| Flash Point: | 101.7 °C |
| Solubility: | PRACTICALLY INSOLUBLE |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 0.00000 |
| LogP: | 5.31730 |
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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. |