Try beta.chemspider
2'H,4'H-Spiro[fluorene-9,5'-[1,3]oxazolidine]-2',4'-dione
c1ccc2c(c1)-c3ccccc3C24C(=O)NC(=O)O4
InChI=1S/C15H9NO3/c17-13-15(19-14(18)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H,16,17,18)
QYCUDRKEQFHGDK-UHFFFAOYSA-N
CSID:111781, http://www.chemspider.com/Chemical-Structure.111781.html (accessed 18:11, 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) = 2.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 524.14 (Adapted Stein & Brown method) Melting Pt (deg C): 223.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.96E-011 (Modified Grain method) Subcooled liquid VP: 6.69E-009 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): 10.58 log Kow used: 2.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.550E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.61 (KowWin est) Log Kaw used: -7.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.961 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4440 Biowin2 (Non-Linear Model) : 0.0926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4318 (weeks-months) Biowin4 (Primary Survey Model) : 3.3318 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0981 Biowin6 (MITI Non-Linear Model): 0.0333 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2616 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): 8.92E-007 Pa (6.69E-009 mm Hg) Log Koa (Koawin est ): 9.961 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.36 Octanol/air (Koa) model: 0.00224 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 0.152 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.8274 E-12 cm3/molecule-sec Half-Life = 0.988 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.854 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4968 Log Koc: 3.696 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 = 1.313 (BCF = 20.56) log Kow used: 2.61 (estimated) Volatilization from Water: Henry LC: 1.09E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.514E+005 hours (3.547E+004 days) Half-Life from Model Lake : 9.288E+006 hours (3.87E+005 days) Removal In Wastewater Treatment: Total removal: 3.45 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.34 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 0.309 23.7 1000 Water 17.5 900 1000 Soil 82 1.8e+003 1000 Sediment 0.176 8.1e+003 0 Persistence Time: 1.34e+003 hr
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