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N-Isopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide
O=C1N(C(=O)NC12CCC(CC2)C)CC(=O)NC(C)C
InChI=1S/C14H23N3O3/c1-9(2)15-11(18)8-17-12(19)14(16-13(17)20)6-4-10(3)5-7-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,20)
FFUNACOFTPHMEF-UHFFFAOYSA-N
CSID:5574834, http://www.chemspider.com/Chemical-Structure.5574834.html (accessed 01:26, Apr 30, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 531.85 (Adapted Stein & Brown method) Melting Pt (deg C): 227.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.86E-011 (Modified Grain method) Subcooled liquid VP: 4.25E-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): 459 log Kow used: 1.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 457.39 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.75E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.307E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.80 (KowWin est) Log Kaw used: -11.399 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.199 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6398 Biowin2 (Non-Linear Model) : 0.4954 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3111 (weeks-months) Biowin4 (Primary Survey Model) : 3.4938 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1607 Biowin6 (MITI Non-Linear Model): 0.0428 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8852 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): 5.67E-007 Pa (4.25E-009 mm Hg) Log Koa (Koawin est ): 13.199 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.29 Octanol/air (Koa) model: 3.88 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.5498 E-12 cm3/molecule-sec Half-Life = 0.319 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.826 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 94.09 Log Koc: 1.974 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 = 0.684 (BCF = 4.832) log Kow used: 1.80 (estimated) Volatilization from Water: Henry LC: 9.75E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.007E+010 hours (4.197E+008 days) Half-Life from Model Lake : 1.099E+011 hours (4.578E+009 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.00 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 0.000316 7.65 1000 Water 26.9 900 1000 Soil 73 1.8e+003 1000 Sediment 0.0844 8.1e+003 0 Persistence Time: 1.32e+003 hr
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