Try beta.chemspider
3-Amino-2-naphthoic acid
c1ccc2cc(c(cc2c1)C(=O)O)N
InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
XFXOLBNQYFRSLQ-UHFFFAOYSA-N
CSID:20884, http://www.chemspider.com/Chemical-Structure.20884.html (accessed 14:35, Jun 29, 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) = 2.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.40 (Adapted Stein & Brown method) Melting Pt (deg C): 141.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.01E-007 (Modified Grain method) MP (exp database): 216.5 deg C Subcooled liquid VP: 2.22E-005 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): 345 log Kow used: 2.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 66.167 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.74E-012 atm-m3/mole Group Method: 1.28E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.435E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.54 (KowWin est) Log Kaw used: -9.816 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.356 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6015 Biowin2 (Non-Linear Model) : 0.7039 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7384 (weeks-months) Biowin4 (Primary Survey Model) : 3.4770 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4238 Biowin6 (MITI Non-Linear Model): 0.2811 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2513 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): 0.00296 Pa (2.22E-005 mm Hg) Log Koa (Koawin est ): 12.356 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 0.557 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0353 Mackay model : 0.075 Octanol/air (Koa) model: 0.978 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.8096 E-12 cm3/molecule-sec Half-Life = 0.163 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.950 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0552 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 266.1 Log Koc: 2.425 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 = 0.500 (BCF = 3.162) log Kow used: 2.54 (estimated) Volatilization from Water: Henry LC: 1.28E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.258E+008 hours (2.608E+007 days) Half-Life from Model Lake : 6.827E+009 hours (2.845E+008 days) Removal In Wastewater Treatment: Total removal: 3.21 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.11 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 1.38e-005 3.9 1000 Water 15.7 900 1000 Soil 84.2 1.8e+003 1000 Sediment 0.138 8.1e+003 0 Persistence Time: 1.66e+003 hr
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