2,2'-(2,5,8,11-Tetraoxadodecane-1,12-diyl)dioxirane
C1C(O1)COCCOCCOCCOCC2CO2
InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2
UMILHIMHKXVDGH-UHFFFAOYSA-N
CSID:15246, http://www.chemspider.com/Chemical-Structure.15246.html (accessed 08:16, Mar 28, 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) = -1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 321.59 (Adapted Stein & Brown method) Melting Pt (deg C): 92.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00119 (Modified Grain method) MP (exp database): -13 deg C BP (exp database): 196 @ 2 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.46e+005 log Kow used: -1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Diepoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.80E-014 atm-m3/mole Group Method: 7.39E-019 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.522E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.68 (KowWin est) Log Kaw used: -11.707 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.027 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.4615 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5675 (weeks-months) Biowin4 (Primary Survey Model) : 3.4109 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4003 Biowin6 (MITI Non-Linear Model): 0.1151 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6606 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): 0.159 Pa (0.00119 mm Hg) Log Koa (Koawin est ): 10.027 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.89E-005 Octanol/air (Koa) model: 0.00261 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000682 Mackay model : 0.00151 Octanol/air (Koa) model: 0.173 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.0589 E-12 cm3/molecule-sec Half-Life = 0.187 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.249 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 7.091E-003 L/mol-sec Ka Half-Life at pH 7: 30.974 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.68 (estimated) Volatilization from Water: Henry LC: 4.8E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.976E+010 hours (8.231E+008 days) Half-Life from Model Lake : 2.155E+011 hours (8.98E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.73e-007 4.5 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
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