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N-(2,6-Diisopropylphenyl)-1-naphthamide
CC(C)c1cccc(c1NC(=O)c2cccc3c2cccc3)C(C)C
InChI=1S/C23H25NO/c1-15(2)18-12-8-13-19(16(3)4)22(18)24-23(25)21-14-7-10-17-9-5-6-11-20(17)21/h5-16H,1-4H3,(H,24,25)
JWIJYYNJSCHASS-UHFFFAOYSA-N
CSID:1033193, http://www.chemspider.com/Chemical-Structure.1033193.html (accessed 06:20, Apr 24, 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) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 505.01 (Adapted Stein & Brown method) Melting Pt (deg C): 214.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-010 (Modified Grain method) Subcooled liquid VP: 2.05E-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): 0.1165 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.002039 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.51E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.263E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: -7.734 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.394 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9092 Biowin2 (Non-Linear Model) : 0.8954 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2628 (weeks-months) Biowin4 (Primary Survey Model) : 3.4379 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0830 Biowin6 (MITI Non-Linear Model): 0.0127 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1671 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): 2.73E-006 Pa (2.05E-008 mm Hg) Log Koa (Koawin est ): 13.394 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1 Octanol/air (Koa) model: 6.08 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.975 Mackay model : 0.989 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.2199 E-12 cm3/molecule-sec Half-Life = 0.253 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.040 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.982 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.046E+005 Log Koc: 5.020 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 = 3.661 (BCF = 4584) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 4.51E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.363E+006 hours (9.848E+004 days) Half-Life from Model Lake : 2.578E+007 hours (1.074E+006 days) Removal In Wastewater Treatment: Total removal: 89.99 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.24 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 0.0555 6.08 1000 Water 5.24 900 1000 Soil 49.8 1.8e+003 1000 Sediment 44.9 8.1e+003 0 Persistence Time: 2.5e+003 hr
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