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1-Fluoro-7-methyltetraphene
Cc1c2ccccc2cc3c1ccc4c3c(ccc4)F
InChI=1S/C19H13F/c1-12-15-7-3-2-5-14(15)11-17-16(12)10-9-13-6-4-8-18(20)19(13)17/h2-11H,1H3
WBCHNORVHGIXDF-UHFFFAOYSA-N
CSID:221484, http://www.chemspider.com/Chemical-Structure.221484.html (accessed 15:26, Apr 25, 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) = 6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.12 (Adapted Stein & Brown method) Melting Pt (deg C): 144.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.21E-007 (Modified Grain method) Subcooled liquid VP: 5.27E-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): 0.007128 log Kow used: 6.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0064274 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.46E-006 atm-m3/mole Group Method: 5.35E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.542E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: -3.578 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.848 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7890 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3428 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7149 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0787 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4900 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000703 Pa (5.27E-006 mm Hg) Log Koa (Koawin est ): 9.848 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00427 Octanol/air (Koa) model: 0.00173 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.134 Mackay model : 0.255 Octanol/air (Koa) model: 0.122 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.2967 E-12 cm3/molecule-sec Half-Life = 0.183 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.202 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.194 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.454E+005 Log Koc: 5.810 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 = 4.127 (BCF = 1.339e+004) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 5.35E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 178.2 hours (7.425 days) Half-Life from Model Lake : 2079 hours (86.64 days) Removal In Wastewater Treatment: Total removal: 93.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.24 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 0.0203 4.4 1000 Water 1.23 4.32e+003 1000 Soil 44.5 8.64e+003 1000 Sediment 54.2 3.89e+004 0 Persistence Time: 9.57e+003 hr
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