Try beta.chemspider
N,N'-Bis(2,3-dimethylphenyl)-6-nitro-2,3-quinoxalinediamine
Cc1cccc(c1C)Nc2c(nc3cc(ccc3n2)[N+](=O)[O-])Nc4cccc(c4C)C
InChI=1S/C24H23N5O2/c1-14-7-5-9-19(16(14)3)25-23-24(26-20-10-6-8-15(2)17(20)4)28-22-13-18(29(30)31)11-12-21(22)27-23/h5-13H,1-4H3,(H,25,27)(H,26,28)
JSHZUSLOOOKHPC-UHFFFAOYSA-N
CSID:2946010, http://www.chemspider.com/Chemical-Structure.2946010.html (accessed 04:45, May 10, 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) = 4.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 741.23 (Adapted Stein & Brown method) Melting Pt (deg C): 325.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.74E-021 (Modified Grain method) Subcooled liquid VP: 4.29E-018 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): 0.6046 log Kow used: 4.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19397 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.75E-026 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.570E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.23 (KowWin est) Log Kaw used: -24.145 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 28.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3014 Biowin2 (Non-Linear Model) : 0.0123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7139 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7588 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6058 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5032 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): 5.72E-016 Pa (4.29E-018 mm Hg) Log Koa (Koawin est ): 28.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.24E+009 Octanol/air (Koa) model: 5.82E+015 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 = 253.1978 E-12 cm3/molecule-sec Half-Life = 0.042 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.507 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 : 5.84E+006 Log Koc: 6.766 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 = 2.559 (BCF = 362.3) log Kow used: 4.23 (estimated) Volatilization from Water: Henry LC: 1.75E-026 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.811E+022 hours (2.838E+021 days) Half-Life from Model Lake : 7.431E+023 hours (3.096E+022 days) Removal In Wastewater Treatment: Total removal: 41.52 percent Total biodegradation: 0.41 percent Total sludge adsorption: 41.11 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 1.59e-008 1.01 1000 Water 3.83 4.32e+003 1000 Soil 93.2 8.64e+003 1000 Sediment 2.99 3.89e+004 0 Persistence Time: 8.31e+003 hr
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