1-Methylanthracene
Cc1cccc2c1cc3ccccc3c2
InChI=1S/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3
KZNJSFHJUQDYHE-UHFFFAOYSA-N
CSID:11391, http://www.chemspider.com/Chemical-Structure.11391.html (accessed 07:52, Apr 16, 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) = 4.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.75 (Adapted Stein & Brown method) Melting Pt (deg C): 93.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.089 (Modified Grain method) MP (exp database): 85.5 deg C BP (exp database): 199.5 deg C Subcooled liquid VP: 0.338 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): 0.2467 log Kow used: 4.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.30853 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.67E-005 atm-m3/mole Group Method: 2.74E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.126E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.89 (KowWin est) Log Kaw used: -2.635 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.525 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7107 Biowin2 (Non-Linear Model) : 0.7018 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6994 (weeks-months) Biowin4 (Primary Survey Model) : 3.5018 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2556 Biowin6 (MITI Non-Linear Model): 0.1630 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3946 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.2937 BioHC Half-Life (days) : 196.6508 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 45.1 Pa (0.338 mm Hg) Log Koa (Koawin est ): 7.525 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.66E-008 Octanol/air (Koa) model: 8.22E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.4E-006 Mackay model : 5.33E-006 Octanol/air (Koa) model: 0.000657 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.5599 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.228 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.86E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.373E+004 Log Koc: 4.528 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 = 3.067 (BCF = 1167) log Kow used: 4.89 (estimated) Volatilization from Water: Henry LC: 2.74E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 31.04 hours (1.293 days) Half-Life from Model Lake : 454.9 hours (18.95 days) Removal In Wastewater Treatment: Total removal: 74.06 percent Total biodegradation: 0.65 percent Total sludge adsorption: 73.09 percent Total to Air: 0.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0978 2.46 1000 Water 11.8 900 1000 Soil 67 1.8e+003 1000 Sediment 21.2 8.1e+003 0 Persistence Time: 1.29e+003 hr
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