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2-Hexadecylanthracene
CCCCCCCCCCCCCCCCc1ccc2cc3ccccc3cc2c1
InChI=1S/C30H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21-22-29-24-27-19-16-17-20-28(27)25-30(29)23-26/h16-17,19-25H,2-15,18H2,1H3
AMLHWCWDPHVSHB-UHFFFAOYSA-N
CSID:2030263, http://www.chemspider.com/Chemical-Structure.2030263.html (accessed 16:17, Apr 24, 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) = 12.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 513.95 (Adapted Stein & Brown method) Melting Pt (deg C): 203.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.58E-010 (Modified Grain method) Subcooled liquid VP: 1.22E-008 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): 7.771e-009 log Kow used: 12.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.0267e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.97E-003 atm-m3/mole Group Method: 5.35E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.077E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.26 (KowWin est) Log Kaw used: -0.790 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.050 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7189 Biowin2 (Non-Linear Model) : 0.4284 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5328 (weeks-months) Biowin4 (Primary Survey Model) : 3.4673 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2247 Biowin6 (MITI Non-Linear Model): 0.1081 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1780 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.0581 BioHC Half-Life (days) : 1143.1625 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.63E-006 Pa (1.22E-008 mm Hg) Log Koa (Koawin est ): 13.050 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84 Octanol/air (Koa) model: 2.75 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.985 Mackay model : 0.993 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 120.2285 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.068 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.989 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.366E+008 Log Koc: 8.527 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 = 0.500 (BCF = 3.162) log Kow used: 12.26 (estimated) Volatilization from Water: Henry LC: 0.00535 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.267 hours Half-Life from Model Lake : 193 hours (8.041 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0288 2.14 1000 Water 1.87 900 1000 Soil 29.2 1.8e+003 1000 Sediment 68.9 8.1e+003 0 Persistence Time: 3.18e+003 hr
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