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MDPHP Yellow Powder Fine Research Chemical Intermediates CAS 962421-82-1
Research on MDPHP was conducted by ACD/Labs', US Environmental Protection Agency's EPISuite, and ChemAxon. Properties that were predicted by ACD/Labs showed 3 #H bond acceptors, 3 #Freely rotating bonds, index of refraction at 1.5556 with a surface tension of 45.9.±3.0 dyne/cm, a flash point of 140.0±26.0 °C and a boiling point of 290.5±9.0 °C at 760 mmHg.
Properties that were predicted by the US Environmental Protection Agency's EPISuite showed the boiling point at 291.20, melting point at 80.54, and the vapor pressure estimations at 0.000919. The report also showed water solubility at 25 deg C (mg/L): 5546. The removal in wastewater treatment was 2.59 percent for total removal, total biodegradation is 0.10 percent, total sludge adsorption is 2.49 percent, and to air 0.00.
Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 29, bond count of 30, cyclomatic number of 2, chain atom count of 5, chain bond count of 5, asymmetric atom count of 0, and rotatable bond count of 2. Under geometry, the information provided showed deriding energy of 32.80 kcal/mol with a volume of 185.55 Å3, a minimal projection area of 31.920 Å2 and maximum at 29.68 Å2.
Chemical and physical properties of MDPHP include a heavy atom count of 14, topological polar surface area of 44.5, covalently bonded unit count of 1, feature 3D acceptor count of 2, 3D donor count of 1, feature 3D cation count of 1, feature 3D hyrdrophobe count of 1, feature 3D ring count of 2, and effective rotor count of 2.6.
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