Try beta.chemspider
8,8'-Methylenebis(6,10-dioxaspiro[4.5]decane-7,9-dione)
C1CCC2(C1)OC(=O)C(C(=O)O2)CC3C(=O)OC4(CCCC4)OC3=O
InChI=1S/C17H20O8/c18-12-10(13(19)23-16(22-12)5-1-2-6-16)9-11-14(20)24-17(25-15(11)21)7-3-4-8-17/h10-11H,1-9H2
YGONRVJOVUHFNX-UHFFFAOYSA-N
CSID:3868467, http://www.chemspider.com/Chemical-Structure.3868467.html (accessed 04:51, Jun 1, 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) = 11.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 579.40 (Adapted Stein & Brown method) Melting Pt (deg C): 239.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E-012 (Modified Grain method) Subcooled liquid VP: 2.53E-010 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): 1.305e-006 log Kow used: 11.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 56.906 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.63E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.370E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.31 (KowWin est) Log Kaw used: -10.452 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.762 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9087 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5571 (weeks-months) Biowin4 (Primary Survey Model) : 3.9484 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.4062 Biowin6 (MITI Non-Linear Model): 0.9933 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0002 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): 3.37E-008 Pa (2.53E-010 mm Hg) Log Koa (Koawin est ): 21.762 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 88.9 Octanol/air (Koa) model: 1.42E+009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.1065 E-12 cm3/molecule-sec Half-Life = 1.175 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.095 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.208E+004 Log Koc: 4.344 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 = 0.500 (BCF = 3.162) log Kow used: 11.31 (estimated) Volatilization from Water: Henry LC: 8.63E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.273E+009 hours (5.306E+007 days) Half-Life from Model Lake : 1.389E+010 hours (5.788E+008 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0144 28.2 1000 Water 1.6 900 1000 Soil 39.6 1.8e+003 1000 Sediment 58.8 8.1e+003 0 Persistence Time: 4.04e+003 hr
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