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N,N-Bis(2-cyanoethyl)-4-biphenylcarboxamide
c1ccc(cc1)c2ccc(cc2)C(=O)N(CCC#N)CCC#N
InChI=1S/C19H17N3O/c20-12-4-14-22(15-5-13-21)19(23)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,14-15H2
YZFAGURRSULOED-UHFFFAOYSA-N
CSID:1651767, http://www.chemspider.com/Chemical-Structure.1651767.html (accessed 01:19, Jul 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) = 1.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 514.80 (Adapted Stein & Brown method) Melting Pt (deg C): 217.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E-010 (Modified Grain method) Subcooled liquid VP: 1.16E-008 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): 321.8 log Kow used: 1.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 52.828 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.265E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.52 (KowWin est) Log Kaw used: -13.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.512 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.5554 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3318 (weeks-months) Biowin4 (Primary Survey Model) : 3.4900 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3512 Biowin6 (MITI Non-Linear Model): 0.1111 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2685 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): 1.55E-006 Pa (1.16E-008 mm Hg) Log Koa (Koawin est ): 15.512 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94 Octanol/air (Koa) model: 798 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.986 Mackay model : 0.994 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.8308 E-12 cm3/molecule-sec Half-Life = 1.366 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.391 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.99 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.745E+004 Log Koc: 4.439 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 = 0.469 (BCF = 2.947) log Kow used: 1.52 (estimated) Volatilization from Water: Henry LC: 2.49E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.095E+012 hours (1.706E+011 days) Half-Life from Model Lake : 4.468E+013 hours (1.862E+012 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 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 3.14e-007 32.8 1000 Water 32.5 900 1000 Soil 67.4 1.8e+003 1000 Sediment 0.0831 8.1e+003 0 Persistence Time: 1.2e+003 hr
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