Investigation on the photopolymerization possibility of 1,6-hexanediol diacrylate in crystalline-state

•The single crystal of 1,6-Hexanediol Diacrylate (HDDA) was grown and the crystal structure was analyzed.•Two models to study the possibility of polymerization in crystal region were built.•The polymerization possibility of HDDA in crystal region is denied.•The place where the polymerization of HDDA occur is inferred as amorphous region.

1,6-hexanediol diacrylate (HDDA) single crystal was grown by slow cooling method. The grown crystal was characterized by single crystal X-ray diffraction, and it showed that HDDA crystallizes in the triclinic system with space group P-1. The cell parameters are a = 6.4885 (9) Å, b = 6.945 (2) Å, c = 7.4890 (12) Å, α = 96.43 (2) °, β = 98.369 (13) °, γ = 109.96 (2) ° and Z = 1. The thermal properties of the HDDA was studied by differential scanning calorimetry (DSC) and showed just one crystalline form existed. A modelization method to judge the possibility of photoinitiating free-radical chain-reaction polymerization in crystal region was established based on the single crystal data, with which the polymerize possibility of HDDA in crystal region was studied.

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