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3-Hydroxy-N-(2-pyridinyl)-2-naphthamide
c1ccc2cc(c(cc2c1)C(=O)Nc3ccccn3)O
InChI=1S/C16H12N2O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)16(20)18-15-7-3-4-8-17-15/h1-10,19H,(H,17,18,20)
PHRLXUJXDQNSFA-UHFFFAOYSA-N
CSID:422401, http://www.chemspider.com/Chemical-Structure.422401.html (accessed 16:10, May 4, 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) = 3.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 489.66 (Adapted Stein & Brown method) Melting Pt (deg C): 207.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.9E-011 (Modified Grain method) Subcooled liquid VP: 6.84E-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): 38.94 log Kow used: 3.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.019 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.055E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.84 (KowWin est) Log Kaw used: -12.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.919 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7931 Biowin2 (Non-Linear Model) : 0.7716 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4031 (weeks-months) Biowin4 (Primary Survey Model) : 3.6928 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1654 Biowin6 (MITI Non-Linear Model): 0.0480 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0357 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): 9.12E-007 Pa (6.84E-009 mm Hg) Log Koa (Koawin est ): 15.919 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.29 Octanol/air (Koa) model: 2.04E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.4248 E-12 cm3/molecule-sec Half-Life = 0.221 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.651 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6666 Log Koc: 3.824 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 = 2.261 (BCF = 182.2) log Kow used: 3.85 (estimated) Volatilization from Water: Henry LC: 2.04E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.666E+010 hours (1.944E+009 days) Half-Life from Model Lake : 5.09E+011 hours (2.121E+010 days) Removal In Wastewater Treatment: Total removal: 23.33 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.06 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 2.65e-005 5.3 1000 Water 11.1 900 1000 Soil 87 1.8e+003 1000 Sediment 1.81 8.1e+003 0 Persistence Time: 1.87e+003 hr
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