4,6-Decadiyne

The 4,6-Decadiyne is an organic compound with the formula C₁₀H₁₄. The IUPAC name of this chemical is deca-4,6-diyne. With the CAS registry number 16387-71-6, the product's categories are Acetylenes; Acetylenic Hydrocarbons.

Physical properties about 4,6-Decadiyne are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1223.78; (5)ACD/BCF (pH 7.4): 1223.78; (6)ACD/KOC (pH 5.5): 5646.48; (7)ACD/KOC (pH 7.4): 5646.48; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.466; (10)Molar Refractivity: 44.38 cm³; (11)Molar Volume: 160.2 cm³; (12)Polarizability: 17.59×10^-24cm³; (13)Surface Tension: 33.8 dyne/cm; (14)Density: 0.837 g/cm³; (15)Flash Point: 71.2 °C; (16)Enthalpy of Vaporization: 42.96 kJ/mol; (17)Boiling Point: 211.6 °C at 760 mmHg; (18)Vapour Pressure: 0.263 mmHg at 25°C.

Preparation of 4,6-Decadiyne: this chemical can be prepared by pent-1-yne. This reaction will need reagents pyridine, copper(I)bromide, 1,8-diazabicyclo<5.4.0>undec-7-ene (DBU), O₂ and solvent dimethylformamide. The reaction temperature is 40 - 45 °C. The yield is about 90%.

Uses of 4,6-Decadiyne: it can be used to produce 4-ethyl-dec-4-en-6-yne at temperature of 50 °C. It will need solvent tetrahydrofuran with reaction time of 6 hours. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CC#CCCC)CCC
(2)InChI: InChI=1/C10H14/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3
(3)InChIKey: LIWZSNTUMSGWTF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3
(5)Std. InChIKey: LIWZSNTUMSGWTF-UHFFFAOYSA-N