Try beta.chemspider
1-Fluoro-4-isobutoxybenzene
CC(C)COc1ccc(cc1)F
InChI=1S/C10H13FO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3
GPSLEYLYTDYHOA-UHFFFAOYSA-N
CSID:19421168, http://www.chemspider.com/Chemical-Structure.19421168.html (accessed 04:59, Jul 9, 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) = 3.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 194.92 (Adapted Stein & Brown method) Melting Pt (deg C): -11.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.464 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 45.67 log Kow used: 3.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 48.357 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.70E-004 atm-m3/mole Group Method: 3.97E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.249E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.67 (KowWin est) Log Kaw used: -1.449 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.119 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0106 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3624 (weeks-months) Biowin4 (Primary Survey Model) : 3.6956 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4568 Biowin6 (MITI Non-Linear Model): 0.0156 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3334 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): 56.5 Pa (0.424 mm Hg) Log Koa (Koawin est ): 5.119 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.31E-008 Octanol/air (Koa) model: 3.23E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.92E-006 Mackay model : 4.25E-006 Octanol/air (Koa) model: 2.58E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.3907 E-12 cm3/molecule-sec Half-Life = 0.500 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.000 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.08E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1003 Log Koc: 3.001 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 = 2.129 (BCF = 134.6) log Kow used: 3.67 (estimated) Volatilization from Water: Henry LC: 0.0397 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.343 hours Half-Life from Model Lake : 123.4 hours (5.142 days) Removal In Wastewater Treatment: Total removal: 94.36 percent Total biodegradation: 0.05 percent Total sludge adsorption: 10.08 percent Total to Air: 84.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.58 12 1000 Water 42.3 900 1000 Soil 46.6 1.8e+003 1000 Sediment 4.58 8.1e+003 0 Persistence Time: 185 hr
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