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3,5-Dimethyl-3,5-bis[(2-methyl-2-propanyl)peroxy]-1,2-dioxolane
CC1(CC(OO1)(C)OOC(C)(C)C)OOC(C)(C)C
InChI=1S/C13H26O6/c1-10(2,3)14-16-12(7)9-13(8,19-18-12)17-15-11(4,5)6/h9H2,1-8H3
MUAFAOUCQHXNNH-UHFFFAOYSA-N
CSID:105651, http://www.chemspider.com/Chemical-Structure.105651.html (accessed 18:36, May 16, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 288.16 (Adapted Stein & Brown method) Melting Pt (deg C): 82.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00185 (Modified Grain method) Subcooled liquid VP: 0.0065 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1903 log Kow used: 5.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.34263 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.560E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.78 (KowWin est) Log Kaw used: -3.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.135 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1207 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7356 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8324 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1775 Biowin6 (MITI Non-Linear Model): 0.0287 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2574 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.867 Pa (0.0065 mm Hg) Log Koa (Koawin est ): 9.135 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46E-006 Octanol/air (Koa) model: 0.000335 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000125 Mackay model : 0.000277 Octanol/air (Koa) model: 0.0261 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2426 E-12 cm3/molecule-sec Half-Life = 4.769 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 57.234 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000201 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.127E+005 Log Koc: 5.052 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.749 (BCF = 5614) log Kow used: 5.78 (estimated) Volatilization from Water: Henry LC: 1.08E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 92.15 hours (3.839 days) Half-Life from Model Lake : 1145 hours (47.71 days) Removal In Wastewater Treatment: Total removal: 90.95 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.17 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.253 114 1000 Water 2.02 4.32e+003 1000 Soil 51.8 8.64e+003 1000 Sediment 46 3.89e+004 0 Persistence Time: 8.13e+003 hr
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