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N-(Diphenylmethyl)-4-fluoro-N-(2-furylmethyl)benzamide
Fc1ccc(cc1)C(=O)N(C(c2ccccc2)c3ccccc3)Cc4occc4
InChI=1S/C25H20FNO2/c26-22-15-13-21(14-16-22)25(28)27(18-23-12-7-17-29-23)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,24H,18H2
ZOIMAMSVEIZNJC-UHFFFAOYSA-N
CSID:6336348, http://www.chemspider.com/Chemical-Structure.6336348.html (accessed 06:37, Jun 1, 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) = 5.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 499.67 (Adapted Stein & Brown method) Melting Pt (deg C): 211.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.9E-010 (Modified Grain method) Subcooled liquid VP: 2.8E-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): 0.102 log Kow used: 5.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.010952 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.54E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.442E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.35 (KowWin est) Log Kaw used: -9.573 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.923 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2204 Biowin2 (Non-Linear Model) : 0.0012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9303 (months ) Biowin4 (Primary Survey Model) : 3.5203 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2163 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8920 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): 3.73E-006 Pa (2.8E-008 mm Hg) Log Koa (Koawin est ): 14.923 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.804 Octanol/air (Koa) model: 206 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.967 Mackay model : 0.985 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 138.8981 E-12 cm3/molecule-sec Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.924 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.976 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.447E+006 Log Koc: 6.736 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 = 3.418 (BCF = 2620) log Kow used: 5.35 (estimated) Volatilization from Water: Henry LC: 6.54E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.758E+008 hours (7.323E+006 days) Half-Life from Model Lake : 1.917E+009 hours (7.989E+007 days) Removal In Wastewater Treatment: Total removal: 86.07 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.34 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 0.000971 1.85 1000 Water 4.74 1.44e+003 1000 Soil 65 2.88e+003 1000 Sediment 30.2 1.3e+004 0 Persistence Time: 3.96e+003 hr
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