Try beta.chemspider
2-(2-Naphthyl)benzoic acid
c1ccc2cc(ccc2c1)c3ccccc3C(=O)O
InChI=1S/C17H12O2/c18-17(19)16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
HMGCGUWFPZVPEK-UHFFFAOYSA-N
CSID:296502, http://www.chemspider.com/Chemical-Structure.296502.html (accessed 23:43, May 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 438.07 (Adapted Stein & Brown method) Melting Pt (deg C): 169.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.12E-008 (Modified Grain method) Subcooled liquid VP: 9.71E-007 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): 3.668 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.91824 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.13E-010 atm-m3/mole Group Method: 2.50E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.779E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -7.478 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.948 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8062 Biowin2 (Non-Linear Model) : 0.8705 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7384 (weeks-months) Biowin4 (Primary Survey Model) : 3.4973 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4409 Biowin6 (MITI Non-Linear Model): 0.2941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0519 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): 0.000129 Pa (9.71E-007 mm Hg) Log Koa (Koawin est ): 11.948 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0232 Octanol/air (Koa) model: 0.218 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.456 Mackay model : 0.65 Octanol/air (Koa) model: 0.946 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.2986 E-12 cm3/molecule-sec Half-Life = 0.272 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.266 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.553 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6205 Log Koc: 3.793 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: 4.47 (estimated) Volatilization from Water: Henry LC: 2.5E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.69E+006 hours (1.538E+005 days) Half-Life from Model Lake : 4.026E+007 hours (1.677E+006 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.0035 6.53 1000 Water 10.2 900 1000 Soil 82.7 1.8e+003 1000 Sediment 7.12 8.1e+003 0 Persistence Time: 1.96e+003 hr
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