2,5-Dimethylbiphenyl
Cc1ccc(c(c1)c2ccccc2)C
InChI=1S/C14H14/c1-11-8-9-12(2)14(10-11)13-6-4-3-5-7-13/h3-10H,1-2H3
ASHRVEUMINIGNW-UHFFFAOYSA-N
CSID:455785, http://www.chemspider.com/Chemical-Structure.455785.html (accessed 13:46, Mar 29, 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) = 4.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 303.29 (Adapted Stein & Brown method) Melting Pt (deg C): 57.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000813 (Modified Grain method) Subcooled liquid VP: 0.00164 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): 3.86 log Kow used: 4.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0487 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.04E-004 atm-m3/mole Group Method: 4.88E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.051E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.85 (KowWin est) Log Kaw used: -1.686 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.536 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8982 Biowin2 (Non-Linear Model) : 0.9669 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6687 (weeks-months) Biowin4 (Primary Survey Model) : 3.4526 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3186 Biowin6 (MITI Non-Linear Model): 0.2386 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4527 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4812 BioHC Half-Life (days) : 30.2845 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.219 Pa (0.00164 mm Hg) Log Koa (Koawin est ): 6.536 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.37E-005 Octanol/air (Koa) model: 8.43E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000495 Mackay model : 0.0011 Octanol/air (Koa) model: 6.75E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.4996 E-12 cm3/molecule-sec Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.852 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000796 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.674E+004 Log Koc: 4.224 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 = 3.036 (BCF = 1086) log Kow used: 4.85 (estimated) Volatilization from Water: Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.997 hours Half-Life from Model Lake : 145.9 hours (6.079 days) Removal In Wastewater Treatment: Total removal: 74.61 percent Total biodegradation: 0.60 percent Total sludge adsorption: 69.45 percent Total to Air: 4.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.881 17.7 1000 Water 8.47 900 1000 Soil 76.7 1.8e+003 1000 Sediment 14 8.1e+003 0 Persistence Time: 1.12e+003 hr
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