Try beta.chemspider
Tetramethyl 5-[(4-methoxyphenyl)hydrazono]-1,3-cyclopentadiene-1,2,3,4-tetracarboxylate
COc1ccc(cc1)NN=C2C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1S/C20H20N2O9/c1-27-11-8-6-10(7-9-11)21-22-16-14(19(25)30-4)12(17(23)28-2)13(18(24)29-3)15(16)20(26)31-5/h6-9,21H,1-5H3
GNNPQOJAVSNIOI-UHFFFAOYSA-N
CSID:2587481, http://www.chemspider.com/Chemical-Structure.2587481.html (accessed 01:25, 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 491.91 (Adapted Stein & Brown method) Melting Pt (deg C): 193.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.4E-010 (Modified Grain method) Subcooled liquid VP: 4.39E-008 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): 0.6101 log Kow used: 4.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1321.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.901E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.10 (KowWin est) Log Kaw used: -16.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.371 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3703 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7464 (weeks-months) Biowin4 (Primary Survey Model) : 4.2169 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0309 Biowin6 (MITI Non-Linear Model): 0.8492 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9219 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): 5.85E-006 Pa (4.39E-008 mm Hg) Log Koa (Koawin est ): 20.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.513 Octanol/air (Koa) model: 5.77E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.949 Mackay model : 0.976 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.6057 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.394 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 9.720000 E-17 cm3/molecule-sec Half-Life = 0.118 Days (at 7E11 mol/cm3) Half-Life = 2.830 Hrs Fraction sorbed to airborne particulates (phi): 0.962 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.98E+004 Log Koc: 4.297 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 = 2.455 (BCF = 284.8) log Kow used: 4.10 (estimated) Volatilization from Water: Henry LC: 1.31E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.294E+014 hours (3.872E+013 days) Half-Life from Model Lake : 1.014E+016 hours (4.224E+014 days) Removal In Wastewater Treatment: Total removal: 34.83 percent Total biodegradation: 0.36 percent Total sludge adsorption: 34.47 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 2.54e-010 1.78 1000 Water 10.8 900 1000 Soil 86 1.8e+003 1000 Sediment 3.22 8.1e+003 0 Persistence Time: 1.9e+003 hr
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