Kazakov, Andrei published the artcileComputational Design of New Refrigerant Fluids Based on Environmental, Safety, and Thermodynamic Characteristics, Recommanded Product: 3,3,3-Trifluoropropan-1-ol, the publication is Industrial & Engineering Chemistry Research (2012), 51(38), 12537-12548, database is CAplus.
We present a systematic search for new classes of refrigerants that would possess low values of global warming potential (GWP), along with low to moderate flammability and suitable thermodn. characteristics. We developed new methods for estimating, solely from the mol. structure, the radiative efficiency (RE, a measure of radiative climate forcing) and atm. lifetime; the combination of RE and lifetime yields an estimate of the GWP. We also developed an estimate of the lower flammability limit (LFL) based on the enthalpy of formation. These estimation techniques, along with a previously developed technique for estimating critical temperature (Tc), are applied to a library of over 56,000 candidate mols. We select fluids with GWP <200; 300 K < Tc <550 K; and LFL >0.1 Kg/m3. Filters for toxicity and chem. stability based on functional groups are also applied to arrive at 1234 candidates for further study. The candidates that would be suitable for use in present types of refrigeration equipment (those with critical temperatures <400 K) are dominated by halogenated alkenes; addnl. chem. classes, including halogenated ethers and cyclic compounds, are identified among fluids with higher critical temperatures
Industrial & Engineering Chemistry Research 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, Recommanded Product: 3,3,3-Trifluoropropan-1-ol.
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