Try beta.chemspider
2,2'-[1,2-Ethanediylbis(imino-3,1-propanediyl)]bis(1H-isoindole-1,3(2H)-dione)
c1ccc2c(c1)C(=O)N(C2=O)CCCNCCNCCCN3C(=O)c4ccccc4C3=O
InChI=1S/C24H26N4O4/c29-21-17-7-1-2-8-18(17)22(30)27(21)15-5-11-25-13-14-26-12-6-16-28-23(31)19-9-3-4-10-20(19)24(28)32/h1-4,7-10,25-26H,5-6,11-16H2
XLHXDJJWXSDWMT-UHFFFAOYSA-N
CSID:1361956, http://www.chemspider.com/Chemical-Structure.1361956.html (accessed 00:14, May 20, 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) = 2.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 754.38 (Adapted Stein & Brown method) Melting Pt (deg C): 331.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.93E-018 (Modified Grain method) Subcooled liquid VP: 5.72E-015 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): 10.57 log Kow used: 2.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 58.327 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.08E-025 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.044E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.63 (KowWin est) Log Kaw used: -22.430 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 25.060 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8484 Biowin2 (Non-Linear Model) : 0.2806 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2879 (weeks-months) Biowin4 (Primary Survey Model) : 3.3074 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0528 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6351 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): 7.63E-013 Pa (5.72E-015 mm Hg) Log Koa (Koawin est ): 25.060 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.93E+006 Octanol/air (Koa) model: 2.82E+012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 212.4809 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.604 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.872E+005 Log Koc: 5.769 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.326 (BCF = 21.17) log Kow used: 2.63 (estimated) Volatilization from Water: Henry LC: 9.08E-025 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.344E+021 hours (5.6E+019 days) Half-Life from Model Lake : 1.466E+022 hours (6.109E+020 days) Removal In Wastewater Treatment: Total removal: 3.52 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.42 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 3.18e-009 1.21 1000 Water 14.9 900 1000 Soil 84.9 1.8e+003 1000 Sediment 0.156 8.1e+003 0 Persistence Time: 1.69e+003 hr
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