Papadimitriou, Vassileios C.’s team published research in Journal of Physical Chemistry A in 111 | CAS: 2240-88-2

Journal of Physical Chemistry A published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Computed Properties of 2240-88-2.

Papadimitriou, Vassileios C. published the artcileKinetic Study of the Reactions of Cl Atoms with CF3CH2CH2OH, CF3CF2CH2OH, CHF2CF2CH2OH, and CF3CHFCF2CH2OH, Computed Properties of 2240-88-2, the publication is Journal of Physical Chemistry A (2007), 111(45), 11608-11617, database is CAplus and MEDLINE.

The reaction kinetics of chlorine atoms with a series of partially fluorinated straight-chain alcs., CF3CH2CH2OH (1), CF3CF2CH2OH (2), CHF2CF2CH2OH (3), and CF3CHFCF2CH2OH (4), were studied in the gas phase over the temperature range of 273-363 K by using very low-pressure reactor mass spectrometry. The absolute rate coefficients were given by the expressions (in cm3 mol.-1 s-1): k1 = (4.42 ± 0.48) × 10-11 exp(-255 ± 20/T); k1(303) = (1.90 ± 0.17) × 10-11, k2 = (2.23 ± 0.31) × 10-11 exp(-1065 ± 106/ T); k2(303) = (6.78 ± 0.63) × 10-13, k3 = (8.51 ± 0.62) × 10-12 exp(-681 ± 72/T); k3(303) = (9.00 ± 0.82) × 10-13 and k4 = (6.18 ± 0.84) × 10-12 exp(-736 ± 42/T); k4(303) = (5.36 ± 0.51) × 10-13. The quoted 2σ uncertainties include the systematic errors. All title reactions proceed via a hydrogen atom metathesis mechanism leading to HCl. Moreover, the oxidation of the primarily produced radicals was investigated, and the end products were the corresponding aldehydes (RF-CHO; RF = -CH2CF3, -CF2CF3, -CF2CHF2, and -CF2CHFCF3), providing a strong exptl. indication that the primary reactions proceed mainly via the abstraction of a methylenic hydrogen adjacent to a hydroxyl group. Finally, the bond strengths and ionization potentials for the title compounds were determined by d. functional theory calculations, which also suggest that the α-methylenic hydrogen is mainly under abstraction by Cl atoms. The correlation of room-temperature rate coefficients with ionization potentials for a set of 27 mols., comprising fluorinated C2-C5 ethers and C2-C4 alcs., is good with an average deviation of a factor of 2, and is given by the expression log(k) (in cm3 mol.-1 s-1) = (5.8 ± 1.4) – (1.56 ± 0.13) × (ionization potential (in eV)).

Journal of Physical Chemistry A published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Computed Properties of 2240-88-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts