Try beta.chemspider
4-Fluoroindoline
c1cc2c(c(c1)F)CCN2
InChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
CMQOXZRRFDMQKY-UHFFFAOYSA-N
CSID:17365043, http://www.chemspider.com/Chemical-Structure.17365043.html (accessed 17:42, May 23, 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) = 1.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 206.53 (Adapted Stein & Brown method) Melting Pt (deg C): 33.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.201 (Modified Grain method) Subcooled liquid VP: 0.239 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): 2.925e+004 log Kow used: 1.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41395 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.07E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.240E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.73 (KowWin est) Log Kaw used: -2.901 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8361 Biowin2 (Non-Linear Model) : 0.8976 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9205 (weeks ) Biowin4 (Primary Survey Model) : 3.6931 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4128 Biowin6 (MITI Non-Linear Model): 0.0058 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5528 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): 31.9 Pa (0.239 mm Hg) Log Koa (Koawin est ): 4.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.41E-008 Octanol/air (Koa) model: 1.05E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.4E-006 Mackay model : 7.53E-006 Octanol/air (Koa) model: 8.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 137.2670 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.935 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.281000 E-17 cm3/molecule-sec Half-Life = 0.502 Days (at 7E11 mol/cm3) Half-Life = 12.058 Hrs Fraction sorbed to airborne particulates (phi): 5.47E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 563.9 Log Koc: 2.751 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 = 0.631 (BCF = 4.279) log Kow used: 1.73 (estimated) Volatilization from Water: Henry LC: 3.07E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 23.53 hours Half-Life from Model Lake : 354.9 hours (14.79 days) Removal In Wastewater Treatment: Total removal: 3.68 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.94 percent Total to Air: 1.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.269 1.62 1000 Water 35.6 360 1000 Soil 64.1 720 1000 Sediment 0.0979 3.24e+003 0 Persistence Time: 353 hr
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