Try beta.chemspider
N,N'-[(Diphenylmethylene)di-4,1-phenylene]diacetamide
CC(=O)Nc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(cc4)NC(=O)C
InChI=1S/C29H26N2O2/c1-21(32)30-27-17-13-25(14-18-27)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-15-19-28(20-16-26)31-22(2)33/h3-20H,1-2H3,(H,30,32)(H,31,33)
RZMUUJBNVYDKHL-UHFFFAOYSA-N
CSID:2348315, http://www.chemspider.com/Chemical-Structure.2348315.html (accessed 21:35, Jun 15, 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) = 5.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 677.85 (Adapted Stein & Brown method) Melting Pt (deg C): 295.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.3E-016 (Modified Grain method) Subcooled liquid VP: 6.52E-013 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): 0.06122 log Kow used: 5.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00044746 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.50E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.884E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.25 (KowWin est) Log Kaw used: -12.576 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.826 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0332 Biowin2 (Non-Linear Model) : 0.9836 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9624 (months ) Biowin4 (Primary Survey Model) : 3.4880 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1110 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0744 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): 8.69E-011 Pa (6.52E-013 mm Hg) Log Koa (Koawin est ): 17.826 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.45E+004 Octanol/air (Koa) model: 1.64E+005 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 = 38.5869 E-12 cm3/molecule-sec Half-Life = 0.277 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.326 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 : 5.362E+006 Log Koc: 6.729 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 = 3.343 (BCF = 2201) log Kow used: 5.25 (estimated) Volatilization from Water: Henry LC: 6.5E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.878E+011 hours (7.824E+009 days) Half-Life from Model Lake : 2.048E+012 hours (8.535E+010 days) Removal In Wastewater Treatment: Total removal: 84.19 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.47 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 0.0378 6.65 1000 Water 5.78 1.44e+003 1000 Soil 64.1 2.88e+003 1000 Sediment 30.1 1.3e+004 0 Persistence Time: 3.28e+003 hr
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