Structural parameters and physicochemical data from quantum chemical calculations of the peroxyacyl nitrate derivatives RC(O)O₂NO₂.

ABSTRACT: This article present the structural parameters and physicochemical data (ΣD ₀, ΔH°_f,298K and ΔG°_f,298K ) of the methoxyformyl peroxynitrate CH₃OC(O)O₂NO₂ (MoPAN), peroxypropionyl nitrate CH₃CH₂C(O)O₂NO₂ (PPN), peroxyacryloyl nitrate CH₂CHC(O)O₂NO₂ (APAN), peroxy-n-butyryl nitrate CH₃(CH₂)₂C(O)O₂NO₂ (PnBN), peroxycrotonyl nitrate CH₃(CH=CH)C(O)O₂NO₂ (CPAN), peroxyisobutyryl nitrate (CH₃)₂CHC(O)O₂NO₂ (PiBN), peroxymethacryloyl nitrate CH₂=C(CH₃)C(O)O₂NO₂

SUBMITTER: Buendia-Atencio C 

PROVIDER: S-EPMC8427228 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature