Try beta.chemspider
6,10,16,19-Tetraoxatrispiro[4.2.2.4~11~.2~8~.2~5~]nonadecane
C1CCC2(C1)OCC3(CO2)COC4(CCCC4)OC3
InChI=1S/C15H24O4/c1-2-6-14(5-1)16-9-13(10-17-14)11-18-15(19-12-13)7-3-4-8-15/h1-12H2
WKUZOVQMCZPPGC-UHFFFAOYSA-N
CSID:719414, http://www.chemspider.com/Chemical-Structure.719414.html (accessed 17:32, May 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 335.33 (Adapted Stein & Brown method) Melting Pt (deg C): 115.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.54E-005 (Modified Grain method) Subcooled liquid VP: 0.000588 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): 7.552 log Kow used: 3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 431.04 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.45E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.525E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -6.740 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.710 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3214 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9351 (months ) Biowin4 (Primary Survey Model) : 2.9613 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3592 Biowin6 (MITI Non-Linear Model): 0.1659 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6358 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): 0.0784 Pa (0.000588 mm Hg) Log Koa (Koawin est ): 10.710 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E-005 Octanol/air (Koa) model: 0.0126 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00138 Mackay model : 0.00305 Octanol/air (Koa) model: 0.502 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.9420 E-12 cm3/molecule-sec Half-Life = 0.255 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.060 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00222 (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 = 2.359 (BCF = 228.7) log Kow used: 3.97 (estimated) Volatilization from Water: Henry LC: 4.45E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.155E+005 hours (8981 days) Half-Life from Model Lake : 2.351E+006 hours (9.798E+004 days) Removal In Wastewater Treatment: Total removal: 28.71 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.40 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 0.0183 6.12 1000 Water 9.09 1.44e+003 1000 Soil 88.4 2.88e+003 1000 Sediment 2.53 1.3e+004 0 Persistence Time: 2.69e+003 hr
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