2-Methyl-3'-nitrobiphenyl
[O-][N+](=O)c2cc(c1ccccc1C)ccc2 CopyCopied
InChI=1S/C13H11NO2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3 CopyCopied
FLOWAYYOKMXTAH-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-METHYL-2-(3-NITROPHENYL)BENZENE
2-Methyl-3'-nitro-1,1'-biphenyl
51264-60-9 [RN]
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) = 1.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 511.21 (Adapted Stein & Brown method) Melting Pt (deg C): 217.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.43E-013 (Modified Grain method) Subcooled liquid VP: 8.48E-011 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): 843.6 log Kow used: 1.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.719 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.483E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.92 (KowWin est) Log Kaw used: -13.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.611 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7002 Biowin2 (Non-Linear Model) : 0.6326 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6509 (weeks-months) Biowin4 (Primary Survey Model) : 3.4701 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1727 Biowin6 (MITI Non-Linear Model): 0.1056 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7368 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): 1.13E-008 Pa (8.48E-011 mm Hg) Log Koa (Koawin est ): 15.611 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 265 Octanol/air (Koa) model: 1E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0126 E-12 cm3/molecule-sec Half-Life = 2.134 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.606 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8529 Log Koc: 3.931 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 = 0.780 (BCF = 6.02) log Kow used: 1.92 (estimated) Volatilization from Water: Henry LC: 4.98E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.721E+012 hours (7.17E+010 days) Half-Life from Model Lake : 1.877E+013 hours (7.822E+011 days) Removal In Wastewater Treatment: Total removal: 2.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 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 7.38e-005 51.2 1000 Water 24.5 900 1000 Soil 75.4 1.8e+003 1000 Sediment 0.0865 8.1e+003 0 Persistence Time: 1.38e+003 hr
Click to predict properties on the Chemicalize site
