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Diallyl oxydi-2,1-ethanediyl biscarbonate
C=CCOC(=O)OCCOCCOC(=O)OCC=C
InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2
JHQVCQDWGSXTFE-UHFFFAOYSA-N
CSID:8541, http://www.chemspider.com/Chemical-Structure.8541.html (accessed 23:14, Apr 23, 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) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.04 (Adapted Stein & Brown method) Melting Pt (deg C): 43.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.46E-005 (Modified Grain method) MP (exp database): -4 deg C BP (exp database): 161 @ 4 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 831.3 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 615.06 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.804E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -5.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.659 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2696 Biowin2 (Non-Linear Model) : 0.0132 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5844 (weeks-months) Biowin4 (Primary Survey Model) : 3.4423 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2313 Biowin6 (MITI Non-Linear Model): 0.0600 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2936 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): 0.00861 Pa (6.46E-005 mm Hg) Log Koa (Koawin est ): 6.659 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000348 Octanol/air (Koa) model: 1.12E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0124 Mackay model : 0.0271 Octanol/air (Koa) model: 8.95E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 73.2806 E-12 cm3/molecule-sec Half-Life = 0.146 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.752 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 0.0198 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 71.11 Log Koc: 1.852 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 = 0.488 (BCF = 3.077) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 1.86E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5215 hours (217.3 days) Half-Life from Model Lake : 5.703E+004 hours (2376 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.181 2.68 1000 Water 40.1 900 1000 Soil 59.6 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 701 hr
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