Try beta.chemspider
8,10,19,20-Tetraoxatrispiro[5.2.2.5~12~.2~9~.2~6~]henicosane
C1CCC2(CC1)COC3(OC2)OCC4(CCCCC4)CO3
InChI=1S/C17H28O4/c1-3-7-15(8-4-1)11-18-17(19-12-15)20-13-16(14-21-17)9-5-2-6-10-16/h1-14H2
UELKTOZXAAYYTH-UHFFFAOYSA-N
CSID:84594, http://www.chemspider.com/Chemical-Structure.84594.html (accessed 23:28, Apr 25, 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) = 5.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.02 (Adapted Stein & Brown method) Melting Pt (deg C): 130.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.36E-005 (Modified Grain method) Subcooled liquid VP: 0.000155 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): 0.5725 log Kow used: 5.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55.557 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.85E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.265E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.10 (KowWin est) Log Kaw used: -6.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.594 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3348 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8731 (months ) Biowin4 (Primary Survey Model) : 2.9208 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3152 Biowin6 (MITI Non-Linear Model): 0.1244 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.8758 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): 0.0207 Pa (0.000155 mm Hg) Log Koa (Koawin est ): 11.594 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000145 Octanol/air (Koa) model: 0.0964 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00522 Mackay model : 0.0115 Octanol/air (Koa) model: 0.885 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.1617 E-12 cm3/molecule-sec Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.044 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00835 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.29 Log Koc: 1.012 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 = 3.224 (BCF = 1676) log Kow used: 5.10 (estimated) Volatilization from Water: Henry LC: 7.85E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.284E+005 hours (5350 days) Half-Life from Model Lake : 1.401E+006 hours (5.837E+004 days) Removal In Wastewater Treatment: Total removal: 80.63 percent Total biodegradation: 0.70 percent Total sludge adsorption: 79.94 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 0.0234 6.09 1000 Water 6.26 1.44e+003 1000 Soil 70 2.88e+003 1000 Sediment 23.7 1.3e+004 0 Persistence Time: 3.25e+003 hr
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