- Double-bond stereo
3,9-Diethylidene-2,4,8,10-tetraoxaspiro[5.5]undecane
CC=C1OCC2(CO1)COC(=CC)OC2
InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4H,5-8H2,1-2H3/b9-3-,10-4-
ZNCFMBOWBMPEAC-UIYSNZQUSA-N
CSID:170316, http://www.chemspider.com/Chemical-Structure.170316.html (accessed 03:22, Apr 20, 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) = 1.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.27 (Adapted Stein & Brown method) Melting Pt (deg C): 75.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00184 (Modified Grain method) Subcooled liquid VP: 0.00556 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): 4605 log Kow used: 1.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5193e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.116E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (KowWin est) Log Kaw used: -3.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9269 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4833 (weeks-months) Biowin4 (Primary Survey Model) : 3.3491 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2463 Biowin6 (MITI Non-Linear Model): 0.0698 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3134 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): 0.741 Pa (0.00556 mm Hg) Log Koa (Koawin est ): 4.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.05E-006 Octanol/air (Koa) model: 4.36E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000146 Mackay model : 0.000324 Octanol/air (Koa) model: 3.48E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 322.0252 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.915 Min Ozone Reaction: OVERALL Ozone Rate Constant = 56.875000 E-17 cm3/molecule-sec Half-Life = 0.020 Days (at 7E11 mol/cm3) Half-Life = 29.015 Min Fraction sorbed to airborne particulates (phi): 0.000235 (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]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.125 (BCF = 1.332) log Kow used: 1.07 (estimated) Volatilization from Water: Henry LC: 1.62E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 54.14 hours (2.256 days) Half-Life from Model Lake : 712.8 hours (29.7 days) Removal In Wastewater Treatment: Total removal: 2.77 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 percent Total to Air: 0.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0371 0.301 1000 Water 49.1 900 1000 Soil 50.7 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 520 hr
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