Try beta.chemspider
3'-(2-Methoxyethyl) 5'-methyl 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)OCCOC)C(=O)OC
InChI=1S/C19H20N2O7/c1-10-13(16(22)26-3)19(11-6-4-5-7-12(11)21-18(19)24)14(15(20)28-10)17(23)27-9-8-25-2/h4-7H,8-9,20H2,1-3H3,(H,21,24)
JSJQQTVPNWWWAY-UHFFFAOYSA-N
CSID:2136615, http://www.chemspider.com/Chemical-Structure.2136615.html (accessed 17:15, May 3, 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) = 0.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 537.04 (Adapted Stein & Brown method) Melting Pt (deg C): 229.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.97E-011 (Modified Grain method) Subcooled liquid VP: 3.13E-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): 158.5 log Kow used: 0.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 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 : 2.24E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.352E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.06 (KowWin est) Log Kaw used: -17.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.098 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3963 Biowin2 (Non-Linear Model) : 0.7051 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3621 (weeks-months) Biowin4 (Primary Survey Model) : 3.8211 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6076 Biowin6 (MITI Non-Linear Model): 0.1666 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6280 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): 4.17E-007 Pa (3.13E-009 mm Hg) Log Koa (Koawin est ): 17.098 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.19 Octanol/air (Koa) model: 3.08E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 107.5248 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.194 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): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.326E-003 L/mol-sec Kb Half-Life at pH 8: 3.472 years Kb Half-Life at pH 7: 34.718 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.06 (estimated) Volatilization from Water: Henry LC: 2.24E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.151E+015 hours (2.146E+014 days) Half-Life from Model Lake : 5.619E+016 hours (2.341E+015 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 1.34e-009 2.14 1000 Water 45.7 900 1000 Soil 54.2 1.8e+003 1000 Sediment 0.0887 8.1e+003 0 Persistence Time: 983 hr
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