Try beta.chemspider
1,1'-(2,2-Diphenyl-1,1-ethenediyl)bis(4-nitrobenzene)
c1ccc(cc1)C(=C(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-])c4ccccc4
InChI=1S/C26H18N2O4/c29-27(30)23-15-11-21(12-16-23)26(22-13-17-24(18-14-22)28(31)32)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-18H
VXJQKIZRZVQMEM-UHFFFAOYSA-N
CSID:2648922, http://www.chemspider.com/Chemical-Structure.2648922.html (accessed 15:18, May 16, 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) = 3.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 729.96 (Adapted Stein & Brown method) Melting Pt (deg C): 320.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.74E-021 (Modified Grain method) Subcooled liquid VP: 1E-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): 0.4307 log Kow used: 3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.001465 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.132E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.88 (KowWin est) Log Kaw used: -19.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.239 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4971 Biowin2 (Non-Linear Model) : 0.1285 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1378 (months ) Biowin4 (Primary Survey Model) : 3.1382 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5966 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0971 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): 1.33E-015 Pa (1E-017 mm Hg) Log Koa (Koawin est ): 23.239 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.25E+009 Octanol/air (Koa) model: 4.26E+010 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 = 114.2873 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.123 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 3628.799805 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.455 Min 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 : 3.009E+007 Log Koc: 7.478 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 = 2.290 (BCF = 194.9) log Kow used: 3.88 (estimated) Volatilization from Water: Henry LC: 1.07E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.126E+018 hours (4.692E+016 days) Half-Life from Model Lake : 1.228E+019 hours (5.118E+017 days) Removal In Wastewater Treatment: Total removal: 24.90 percent Total biodegradation: 0.28 percent Total sludge adsorption: 24.62 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 0.000186 0.00755 1000 Water 12.9 1.44e+003 1000 Soil 84.2 2.88e+003 1000 Sediment 2.88 1.3e+004 0 Persistence Time: 1.77e+003 hr
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