Try beta.chemspider
N,N',N'',N'''-(9,10-Dioxo-9,10-dihydroanthracene-1,4,5,8-tetrayl)tetraacetamide
CC(=O)Nc1ccc(c2c1C(=O)c3c(ccc(c3C2=O)NC(=O)C)NC(=O)C)NC(=O)C
InChI=1S/C22H20N4O6/c1-9(27)23-13-5-6-14(24-10(2)28)18-17(13)21(31)19-15(25-11(3)29)7-8-16(26-12(4)30)20(19)22(18)32/h5-8H,1-4H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
JKROPTLEJMMOMZ-UHFFFAOYSA-N
CSID:4654721, http://www.chemspider.com/Chemical-Structure.4654721.html (accessed 00:08, 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 841.34 (Adapted Stein & Brown method) Melting Pt (deg C): 349.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.66E-021 (Modified Grain method) Subcooled liquid VP: 2.39E-017 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): 0.06355 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13605 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.67E-030 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.211E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -27.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 31.370 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3940 Biowin2 (Non-Linear Model) : 0.9987 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9729 (months ) Biowin4 (Primary Survey Model) : 3.9954 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1903 Biowin6 (MITI Non-Linear Model): 0.0133 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.9192 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): 3.19E-015 Pa (2.39E-017 mm Hg) Log Koa (Koawin est ): 31.370 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.41E+008 Octanol/air (Koa) model: 5.75E+018 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 = 5.3995 E-12 cm3/molecule-sec Half-Life = 1.981 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.771 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 : 5098 Log Koc: 3.707 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 = 1.477 (BCF = 29.96) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 8.67E-030 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.411E+026 hours (5.878E+024 days) Half-Life from Model Lake : 1.539E+027 hours (6.413E+025 days) Removal In Wastewater Treatment: Total removal: 26.55 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.26 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 4.81e-012 47.5 1000 Water 8.59 1.44e+003 1000 Soil 89.3 2.88e+003 1000 Sediment 2.12 1.3e+004 0 Persistence Time: 2.91e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight