1,6,11,16-Tetraoxadispiro[6.2.6.2]octadecane
C1CCOC2(CCC3(CC2)OCCCCO3)OC1
InChI=1S/C14H24O4/c1-2-10-16-13(15-9-1)5-7-14(8-6-13)17-11-3-4-12-18-14/h1-12H2
JBDQISKGZOIXSP-UHFFFAOYSA-N
CSID:321523, http://www.chemspider.com/Chemical-Structure.321523.html (accessed 04:46, Mar 29, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 329.58 (Adapted Stein & Brown method) Melting Pt (deg C): 104.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000133 (Modified Grain method) Subcooled liquid VP: 0.000791 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): 7.62 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1555.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.61E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.887E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -6.507 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.557 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.1318 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1738 (months ) Biowin4 (Primary Survey Model) : 3.1321 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3274 Biowin6 (MITI Non-Linear Model): 0.1588 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3015 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): 0.105 Pa (0.000791 mm Hg) Log Koa (Koawin est ): 10.557 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.84E-005 Octanol/air (Koa) model: 0.00885 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00103 Mackay model : 0.00227 Octanol/air (Koa) model: 0.415 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.1982 E-12 cm3/molecule-sec Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.132 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00165 (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 = 2.417 (BCF = 261) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 7.61E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.232E+005 hours (5133 days) Half-Life from Model Lake : 1.344E+006 hours (5.6E+004 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.0268 4.26 1000 Water 9.57 1.44e+003 1000 Soil 87.2 2.88e+003 1000 Sediment 3.24 1.3e+004 0 Persistence Time: 2.5e+003 hr
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