Try beta.chemspider
N-(2-Naphthyl)-4-biphenylcarboxamide
c1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccc4ccccc4c3
InChI=1S/C23H17NO/c25-23(24-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-16H,(H,24,25)
GCWIUFIWDMBRNO-UHFFFAOYSA-N
CSID:1033100, http://www.chemspider.com/Chemical-Structure.1033100.html (accessed 02:54, 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) = 5.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 547.62 (Adapted Stein & Brown method) Melting Pt (deg C): 234.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.17E-012 (Modified Grain method) Subcooled liquid VP: 1.68E-009 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): 0.1364 log Kow used: 5.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0042235 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.16E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.861E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.64 (KowWin est) Log Kaw used: -9.427 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.067 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9318 Biowin2 (Non-Linear Model) : 0.9482 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4523 (weeks-months) Biowin4 (Primary Survey Model) : 3.5915 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0082 Biowin6 (MITI Non-Linear Model): 0.0179 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0405 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): 2.24E-007 Pa (1.68E-009 mm Hg) Log Koa (Koawin est ): 15.067 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 13.4 Octanol/air (Koa) model: 286 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 144.0231 E-12 cm3/molecule-sec Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.891 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.114E+005 Log Koc: 5.960 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 = 3.643 (BCF = 4393) log Kow used: 5.64 (estimated) Volatilization from Water: Henry LC: 9.16E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.149E+008 hours (4.789E+006 days) Half-Life from Model Lake : 1.254E+009 hours (5.225E+007 days) Removal In Wastewater Treatment: Total removal: 89.81 percent Total biodegradation: 0.75 percent Total sludge adsorption: 89.05 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 0.0181 1.78 1000 Water 5.38 900 1000 Soil 50.1 1.8e+003 1000 Sediment 44.5 8.1e+003 0 Persistence Time: 2.46e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight