Data · dataset · 2026
Atmospheric chemistry of isopropyl formate and tert-butyl formate
Listed in National Center for Atmospheric Research
Formates are produced in the atmosphere as a result of the oxidation of a number of species, notably dialkyl ethers and vinyl ethers.
Description
This work describes experiments to define the oxidation mechanisms of isopropyl formate, HC(O)OCH(CHâ)â, and tert-butyl formate, HC(O)OC(CHâ)â. Product distributions are reported from both Cl- and OH-initiated oxidation, and reaction mechanisms are proposed to account for the observed products.
The proposed mechanisms include examples of the α-ester rearrangement reaction, novel isomerization pathways, and chemically activated intermediates. The atmospheric oxidation of isopropyl formate by OH radicals gives the following products (molar yields): acetic formic anhydride (43%), acetone (43%), and HCOOH (15â20%). The OH radical initiated oxidation of tert-butyl formate gives acetone, formaldehyde, and CO₂ as major products.
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IR absorption cross sections were derived for two acylperoxy nitrates derived from the title compounds. Rate coefficients are derived for the kinetics of the reactions of isopropyl formate with OH (2.4 ± 0.6) à 10⻠¹ ², and with Cl (1.75 ± 0.35) à 10⻠¹ ¹, and for tert-butyl formate with Cl (1.45 ± 0.30) à 10⻠¹ ¹ cm³ molecule⻠¹ s⻠¹. Simple group additivity rules fail to explain the observed distribution of sites of H-atom abstraction for simple formates.
Links
Get the data
- Publisher page n2t.org/ark:/85065/d78p622h ↗
documentation · download · from data ucar edu
Where it is published
- data.ucar.edu /dataset/atmospheric-chemistry-of-isopropyl-formate-and-tert-bu… ↗
National Center for Atmospheric Research dataset page
landing page · from data ucar edu
Catalogue records · 1
- CKAN API data.ucar.edu/api/3/action/package_show?id=fce71307-9545-49fc-9d3d-b1f625d30… ↗
metadata API · from data ucar edu
Topics
- From keywords
- Earth & Environmental Science · Ocean & Atmospheric Science
- Inferred from text
- Atmospheric sciences 70%
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| National Center for Atmospheric Research | fce71307-9545-49fc-9d3d-b1f625d30bf3 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3701 | enrichment · data ucar edu | taxonomy-embedding@1.1.0 | title+keywords+description (70%) |
| concepts[field].local:field:earth-environmental | mapping · data ucar edu | connector:data_ucar_edu@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · data ucar edu | connector:data_ucar_edu@1.0.0 | |
| created_date | source · data ucar edu | connector:data_ucar_edu@1.0.0 | |
| description | source · data ucar edu | connector:data_ucar_edu@1.0.0 | /notes |
| publication_date | source · data ucar edu | connector:data_ucar_edu@1.0.0 | |
| title | source · data ucar edu | connector:data_ucar_edu@1.0.0 | /title |
| updated_date | source · data ucar edu | connector:data_ucar_edu@1.0.0 |