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| CAS No.: | 929-53-3 |
|---|---|
| Name: | 1,4-Decadiyne |
| Molecular Structure: | |
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| Formula: | C10H14 |
| Molecular Weight: | 134.221 |
| Synonyms: | Deca-1,4-diyne; |
| Density: | 0.835 g/cm3 |
| Melting Point: | 60-62 °C |
| Boiling Point: | 181.4 °C at 760 mmHg |
| Flash Point: | 52.903 °C |
| Hazard Symbols: | R11:Highly flammable.; |
| Risk Codes: | 11-48/20 |
| Safety: | 16-26-33 |
| PSA: | 0.00000 |
| LogP: | 2.59340 |
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Specification
The 1,4-Decadiyne with the CAS number 929-53-3 is also called Deca-1,4-diyne. Its molecular formula is C10H14. This chemical belongs to the following product categories: (1)Acetylenes; (2)Acetylenic Hydrocarbons. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 361; (6)ACD/BCF (pH 7.4): 361; (7)ACD/KOC (pH 5.5): 2358; (8)ACD/KOC (pH 7.4): 2358; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 44.211 cm3; (15)Molar Volume: 160.673 cm3; (16)Polarizability: 17.526×10-24cm3; (17)Surface Tension: 33.708 dyne/cm; (18)Enthalpy of Vaporization: 40.053 kJ/mol; (19)Vapour Pressure: 1.161 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of 3-bromo-propyne and diheptynylmagnesium. This reaction needs catalyst CuCl and solvent tetrahydrofuran at temperature of 40 °C. The reaction time is 4.0 hours. The yield is 75%.
Uses: This chemical can prepare dec-1-en-4-yne. This reaction needs reagent i-Bu2AlH, MeCu, MgBrCl, LiCl and solvent tetrahydrofuran at temperature of -20°C. The yield is 45%.
While using this chemical, you should be very cautious. This chemical is highly flammable and danger of serious damage to health by prolonged exposure through inhalation. Therefore, you should take the following instructions. Firstly, you should take precautionary measures against static discharges. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CCC#CCCCCC
(2)InChI: InChI=1/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-6,8,10H2,2H3
(3)InChIKey: PITHRTPWTQFONM-UHFFFAOYAE