Try beta.chemspider
Bis(2-methyl-2-propanyl) 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CC1=C(C2(c3ccccc3NC2=O)C(=C(O1)N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI=1S/C23H28N2O6/c1-12-15(18(26)30-21(2,3)4)23(13-10-8-9-11-14(13)25-20(23)28)16(17(24)29-12)19(27)31-22(5,6)7/h8-11H,24H2,1-7H3,(H,25,28)
UGMMHDQZCJPGCL-UHFFFAOYSA-N
CSID:2136997, http://www.chemspider.com/Chemical-Structure.2136997.html (accessed 03:05, May 6, 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) = 3.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 548.22 (Adapted Stein & Brown method) Melting Pt (deg C): 235.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.79E-012 (Modified Grain method) Subcooled liquid VP: 1.62E-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): 5.008 log Kow used: 3.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2769.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Aliphatic Amines Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.89E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.896E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.05 (KowWin est) Log Kaw used: -14.491 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.541 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3567 Biowin2 (Non-Linear Model) : 0.5709 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8579 (months ) Biowin4 (Primary Survey Model) : 3.4661 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5248 Biowin6 (MITI Non-Linear Model): 0.0663 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4095 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): 2.16E-007 Pa (1.62E-009 mm Hg) Log Koa (Koawin est ): 17.541 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 13.9 Octanol/air (Koa) model: 8.53E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.6353 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.301 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.312500 E-17 cm3/molecule-sec Half-Life = 0.873 Days (at 7E11 mol/cm3) Half-Life = 20.955 Hrs Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 370.9 Log Koc: 2.569 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.491E-003 L/mol-sec Kb Half-Life at pH 8: 14.729 years Kb Half-Life at pH 7: 147.286 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.652 (BCF = 44.9) log Kow used: 3.05 (estimated) Volatilization from Water: Henry LC: 7.89E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.536E+013 hours (6.4E+011 days) Half-Life from Model Lake : 1.676E+014 hours (6.982E+012 days) Removal In Wastewater Treatment: Total removal: 6.14 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.01 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 3.41e-007 2.31 1000 Water 10.5 1.44e+003 1000 Soil 89.2 2.88e+003 1000 Sediment 0.296 1.3e+004 0 Persistence Time: 2.7e+003 hr
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