2-Methylbiphenyl
Cc1ccccc1c2ccccc2
InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
ALLIZEAXNXSFGD-UHFFFAOYSA-N
CSID:12044, http://www.chemspider.com/Chemical-Structure.12044.html (accessed 00:25, Apr 19, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 288.36 (Adapted Stein & Brown method) Melting Pt (deg C): 41.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0203 (Mean VP of Antoine & Grain methods) MP (exp database): -0.2 deg C BP (exp database): 255.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 13.22 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2452 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.57E-004 atm-m3/mole Group Method: 4.55E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.399E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -1.729 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.029 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8502 Biowin2 (Non-Linear Model) : 0.9524 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7745 (weeks ) Biowin4 (Primary Survey Model) : 3.5414 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3270 Biowin6 (MITI Non-Linear Model): 0.2803 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1764 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4863 BioHC Half-Life (days) : 30.6401 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.67 Pa (0.02 mm Hg) Log Koa (Koawin est ): 6.029 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-006 Octanol/air (Koa) model: 2.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.06E-005 Mackay model : 9E-005 Octanol/air (Koa) model: 2.1E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.6758 E-12 cm3/molecule-sec Half-Life = 1.393 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.722 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.53E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.033E+004 Log Koc: 4.014 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 = 2.614 (BCF = 411.4) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 0.000455 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.993 hours Half-Life from Model Lake : 141.4 hours (5.892 days) Removal In Wastewater Treatment: Total removal: 52.09 percent Total biodegradation: 0.40 percent Total sludge adsorption: 42.44 percent Total to Air: 9.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.27 33.4 1000 Water 16.3 360 1000 Soil 76.4 720 1000 Sediment 4.02 3.24e+003 0 Persistence Time: 449 hr
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