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2-Methyl-2-propanyl spiro[indole-3,4'-piperidine]-1(2H)-carboxylate
CC(C)(C)OC(=O)N1CC2(CCNCC2)c3c1cccc3
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3
UIEGYIFDVIDYHB-UHFFFAOYSA-N
CSID:19762077, http://www.chemspider.com/Chemical-Structure.19762077.html (accessed 01:47, Apr 27, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.91 (Adapted Stein & Brown method) Melting Pt (deg C): 149.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7E-006 (Modified Grain method) Subcooled liquid VP: 3.18E-005 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): 19.41 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 69.639 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.323E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: -8.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.853 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4758 Biowin2 (Non-Linear Model) : 0.0821 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1154 (months ) Biowin4 (Primary Survey Model) : 3.3617 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1120 Biowin6 (MITI Non-Linear Model): 0.0412 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8756 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): 0.00424 Pa (3.18E-005 mm Hg) Log Koa (Koawin est ): 12.853 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000708 Octanol/air (Koa) model: 1.75 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0249 Mackay model : 0.0536 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.1060 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.187 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0392 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5248 Log Koc: 3.720 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.323E-023 L/mol-sec Kb Half-Life at pH 8: 1.660E+021 years Kb Half-Life at pH 7: 1.660E+022 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.795 (BCF = 623.9) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 1.19E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.355E+006 hours (3.481E+005 days) Half-Life from Model Lake : 9.115E+007 hours (3.798E+006 days) Removal In Wastewater Treatment: Total removal: 58.12 percent Total biodegradation: 0.54 percent Total sludge adsorption: 57.58 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 0.000532 2.37 1000 Water 7.62 1.44e+003 1000 Soil 84.1 2.88e+003 1000 Sediment 8.26 1.3e+004 0 Persistence Time: 3.1e+003 hr
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