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| CAS No.: | 1459-10-5 |
|---|---|
| Name: | TETRADECYLBENZENE |
| Molecular Structure: | |
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| Formula: | C20H34 |
| Molecular Weight: | 274.49 |
| Synonyms: | Tetradecane,1-phenyl- (6CI,7CI,8CI);1-Phenyl-n-tetradecane;1-Phenyltetradecane;Tetradecylbenzene;Tetradecylbenzol;n-Tetradecylbenzene; |
| EINECS: | 215-950-3 |
| Density: | 0.856 g/cm3 |
| Melting Point: | 16 °C(lit.) |
| Boiling Point: | 359.8 °C at 760 mmHg |
| Flash Point: | 160.4 °C |
| Appearance: | colorless liquid with a mild odor, floats on water |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 6.93020 |
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Specification
This chemical is called Benzene, tetradecyl-, and its CAS registry number is 1459-10-5. With the molecular formula of C20H34, its molecular weight is 274.48. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzene, tetradecyl- can be summarised as followings: (1)ACD/LogP: 9.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.59; (4)ACD/LogD (pH 7.4): 9.59; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3906028; (8)ACD/KOC (pH 7.4): 3906028; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 91.39 cm3; (15)Molar Volume: 320.3 cm3; (16)Polarizability: 36.23×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.856 g/cm3; (19)Flash Point: 160.4 °C; (20)Enthalpy of Vaporization: 58.16 kJ/mol; (21)Boiling Point: 359.8 °C at 760 mmHg; (22)Vapour Pressure: 4.8E-05 mmHg at 25°C.
Production method of this chemical: The Benzene, tetradecyl- could be obtained by the reactants of chlorobenzene and 1-bromo-tetradecane. This reaction needs the reagent of Mg, and the solvent of diethyl ether. The yield is 71 %. In addition, this reaction should be taken for 2 hours.
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Uses of this chemical: The Benzene, tetradecyl- could react with acetyl chloride, and obtain the Benzene, tetradecyl-. This reaction needs the reagent of AlCl3.
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When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccccc1CCCCCCCCCCCCCC
2.InChI: InChI=1/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
3.InChIKey: JZALLXAUNPOCEU-UHFFFAOYAU