7-Ethyltetraphene
CCc1c2ccccc2cc3c1ccc4c3cccc4
InChI=1S/C20H16/c1-2-16-18-10-6-4-8-15(18)13-20-17-9-5-3-7-14(17)11-12-19(16)20/h3-13H,2H2,1H3
HBFJJKFTOQAJHO-UHFFFAOYSA-N
CSID:18312, http://www.chemspider.com/Chemical-Structure.18312.html (accessed 10:56, Oct 3, 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) = 6.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.39 (Adapted Stein & Brown method) Melting Pt (deg C): 156.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.06E-007 (Modified Grain method) Subcooled liquid VP: 2.36E-006 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): 0.004235 log Kow used: 6.56 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.041 mg/L (27 deg C) Exper. Ref: PEARLMAN,RS ET AL. (1984) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0021163 mg/L Wat Sol (Exper. database match) = 0.04 Exper. Ref: PEARLMAN,RS ET AL. (1984) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.34E-006 atm-m3/mole Group Method: 2.94E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.443E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.56 (KowWin est) Log Kaw used: -3.523 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.083 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0229 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7585 (months ) Biowin4 (Primary Survey Model) : 2.7071 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0154 Biowin6 (MITI Non-Linear Model): 0.0251 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4150 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.5748 BioHC Half-Life (days) : 375.7026 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000315 Pa (2.36E-006 mm Hg) Log Koa (Koawin est ): 10.083 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00953 Octanol/air (Koa) model: 0.00297 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.256 Mackay model : 0.433 Octanol/air (Koa) model: 0.192 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.3437 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.344 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.542E+005 Log Koc: 5.878 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 = 4.351 (BCF = 2.243e+004) log Kow used: 6.56 (estimated) Volatilization from Water: Henry LC: 2.94E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 320.5 hours (13.35 days) Half-Life from Model Lake : 3630 hours (151.3 days) Removal In Wastewater Treatment: Total removal: 93.51 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.73 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 0.0213 2.05 1000 Water 1.88 1.44e+003 1000 Soil 32.3 2.88e+003 1000 Sediment 65.8 1.3e+004 0 Persistence Time: 4.38e+003 hr
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