Try beta.chemspider
Tetramethyl 1,4-diisopropyl-1,3a,4,6a-tetrahydropyrrolo[3,2-b]pyrrole-2,3,5,6-tetracarboxylate
CC(C)N1C2C(C(=C1C(=O)OC)C(=O)OC)N(C(=C2C(=O)OC)C(=O)OC)C(C)C
InChI=1S/C20H28N2O8/c1-9(2)21-13-11(17(23)27-5)16(20(26)30-8)22(10(3)4)14(13)12(18(24)28-6)15(21)19(25)29-7/h9-10,13-14H,1-8H3
GTDXBPSKASJMBT-UHFFFAOYSA-N
CSID:433550, http://www.chemspider.com/Chemical-Structure.433550.html (accessed 14:55, Apr 23, 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) = 1.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.62 (Adapted Stein & Brown method) Melting Pt (deg C): 170.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.66E-008 (Modified Grain method) Subcooled liquid VP: 8.4E-007 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): 606.3 log Kow used: 1.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.2475e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.450E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.83 (KowWin est) Log Kaw used: -14.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.122 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8317 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3124 (weeks-months) Biowin4 (Primary Survey Model) : 3.5752 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5815 Biowin6 (MITI Non-Linear Model): 0.1273 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5156 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): 0.000112 Pa (8.4E-007 mm Hg) Log Koa (Koawin est ): 16.122 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0268 Octanol/air (Koa) model: 3.25E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.492 Mackay model : 0.682 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 218.9879 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.586 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 14.787499 E-17 cm3/molecule-sec Half-Life = 0.077 Days (at 7E11 mol/cm3) Half-Life = 1.860 Hrs Fraction sorbed to airborne particulates (phi): 0.587 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.714E+004 Log Koc: 4.570 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.281E-002 L/mol-sec Kb Half-Life at pH 8: 1.714 years Kb Half-Life at pH 7: 17.143 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.706 (BCF = 5.079) log Kow used: 1.83 (estimated) Volatilization from Water: Henry LC: 1.25E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.65E+012 hours (4.021E+011 days) Half-Life from Model Lake : 1.053E+014 hours (4.386E+012 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.02 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 2.86e-009 0.719 1000 Water 26.3 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.0848 8.1e+003 0 Persistence Time: 1.34e+003 hr
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