1-Methyl-7-nitronaphthalene
[O-][N+](=O)c1cc2c(cc1)cccc2C CopyCopied
InChI=1S/C11H9NO2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h2-7H,1H3 CopyCopied
YAXWLSIDOXNUDW-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-Methyl-7-nitronaphthalene [ACD/IUPAC Name]
naphthalene, 1-methyl-7-nitro-
116530-07-5 [RN]
CCRIS 7764 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 483.87 (Adapted Stein & Brown method) Melting Pt (deg C): 205.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.19E-012 (Modified Grain method) Subcooled liquid VP: 5.79E-010 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): 3644 log Kow used: 1.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23.592 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.33E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.886E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.33 (KowWin est) Log Kaw used: -13.587 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.917 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7126 Biowin2 (Non-Linear Model) : 0.7137 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7084 (weeks-months) Biowin4 (Primary Survey Model) : 3.5077 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2337 Biowin6 (MITI Non-Linear Model): 0.1646 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5460 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): 7.72E-008 Pa (5.79E-010 mm Hg) Log Koa (Koawin est ): 14.917 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 38.9 Octanol/air (Koa) model: 203 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3972 E-12 cm3/molecule-sec Half-Life = 1.274 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.285 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 : 1.5E+004 Log Koc: 4.176 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 = 0.327 (BCF = 2.123) log Kow used: 1.33 (estimated) Volatilization from Water: Henry LC: 6.33E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.269E+012 hours (5.287E+010 days) Half-Life from Model Lake : 1.384E+013 hours (5.768E+011 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 1.58e-005 30.6 1000 Water 36 900 1000 Soil 63.9 1.8e+003 1000 Sediment 0.0838 8.1e+003 0 Persistence Time: 1.13e+003 hr
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