Anthracene
c1ccc2cc3ccccc3cc2c1
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
MWPLVEDNUUSJAV-UHFFFAOYSA-N
CSID:8111, http://www.chemspider.com/Chemical-Structure.8111.html (accessed 23:43, Dec 6, 2023)
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) = 4.35 Log Kow (Exper. database match) = 4.45 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.31 (Adapted Stein & Brown method) Melting Pt (deg C): 78.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.17E-006 (Modified Grain method) MP (exp database): 215 deg C BP (exp database): 339.9 deg C VP (exp database): 6.53E-06 mm Hg at 25 deg C Subcooled liquid VP: 0.000494 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.6905 log Kow used: 4.45 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.0434 mg/L (24 deg C) Exper. Ref: MAY,WE ET AL. (1983) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.95887 mg/L Wat Sol (Exper. database match) = 0.04 Exper. Ref: MAY,WE ET AL. (1983) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.13E-005 atm-m3/mole Group Method: 2.56E-005 atm-m3/mole Exper Database: 5.56E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.370E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.45 (exp database) Log Kaw used: -2.643 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.093 Log Koa (experimental database): 7.550 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9819 Biowin2 (Non-Linear Model) : 0.9995 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2194 (months ) Biowin4 (Primary Survey Model) : 3.2478 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2641 Biowin6 (MITI Non-Linear Model): 0.1949 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3817 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0899 BioHC Half-Life (days) : 123.0000 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0659 Pa (0.000494 mm Hg) Log Koa (Exp database): 7.550 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.55E-005 Octanol/air (Koa) model: 8.71E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00164 Mackay model : 0.00363 Octanol/air (Koa) model: 0.000696 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.0000 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.209 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00264 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.04E+004 Log Koc: 4.310 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 = 2.726 (BCF = 532.7) log Kow used: 4.45 (expkow database) Volatilization from Water: Henry LC: 5.56E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 15.42 hours Half-Life from Model Lake : 280.2 hours (11.67 days) Removal In Wastewater Treatment: Total removal: 54.22 percent Total biodegradation: 0.49 percent Total sludge adsorption: 52.45 percent Total to Air: 1.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.195 6.42 1000 Water 9.71 1.44e+003 1000 Soil 81.6 2.88e+003 1000 Sediment 8.53 1.3e+004 0 Persistence Time: 1.74e+003 hr
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