Try beta.chemspider
1,3-Diazaspiro[4.6]undecane-2,4-dione
C1CCCC2(CC1)C(=O)NC(=O)N2
InChI=1S/C9H14N2O2/c12-7-9(11-8(13)10-7)5-3-1-2-4-6-9/h1-6H2,(H2,10,11,12,13)
DEXMKKYRTKSOCW-UHFFFAOYSA-N
CSID:199616, http://www.chemspider.com/Chemical-Structure.199616.html (accessed 12:53, 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) = 1.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 421.66 (Adapted Stein & Brown method) Melting Pt (deg C): 176.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.67E-008 (Modified Grain method) Subcooled liquid VP: 2.46E-006 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): 2403 log Kow used: 1.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 442.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.79E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.655E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.58 (KowWin est) Log Kaw used: -6.810 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.390 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4769 Biowin2 (Non-Linear Model) : 0.2138 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5844 (weeks-months) Biowin4 (Primary Survey Model) : 3.4314 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3560 Biowin6 (MITI Non-Linear Model): 0.2856 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2182 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): 0.000328 Pa (2.46E-006 mm Hg) Log Koa (Koawin est ): 8.390 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00915 Octanol/air (Koa) model: 6.03E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.248 Mackay model : 0.423 Octanol/air (Koa) model: 0.0048 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.6130 E-12 cm3/molecule-sec Half-Life = 0.644 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.726 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.335 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.99 Log Koc: 1.380 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 = 0.517 (BCF = 3.285) log Kow used: 1.58 (estimated) Volatilization from Water: Henry LC: 3.79E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.085E+005 hours (8689 days) Half-Life from Model Lake : 2.275E+006 hours (9.479E+004 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.91 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 0.0559 15.5 1000 Water 31.8 900 1000 Soil 68 1.8e+003 1000 Sediment 0.0844 8.1e+003 0 Persistence Time: 1.17e+003 hr
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