2-(4-Fluorophenyl)ethanol
c1cc(ccc1CCO)F
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
MWUVGXCUHWKQJE-UHFFFAOYSA-N
CSID:74066, http://www.chemspider.com/Chemical-Structure.74066.html (accessed 17:43, Apr 16, 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) = 1.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.51 (Adapted Stein & Brown method) Melting Pt (deg C): 11.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.021 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8380 log Kow used: 1.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.37E-007 atm-m3/mole Group Method: 2.87E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.622E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.77 (KowWin est) Log Kaw used: -4.861 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0842 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5676 (weeks-months) Biowin4 (Primary Survey Model) : 3.7199 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5003 Biowin6 (MITI Non-Linear Model): 0.0237 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4913 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): 2.57 Pa (0.0193 mm Hg) Log Koa (Koawin est ): 6.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.17E-006 Octanol/air (Koa) model: 1.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.21E-005 Mackay model : 9.33E-005 Octanol/air (Koa) model: 8.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.2853 E-12 cm3/molecule-sec Half-Life = 1.291 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.491 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.77E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 46.79 Log Koc: 1.670 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 = 0.011 (BCF = 1.025) log Kow used: 1.77 (estimated) Volatilization from Water: Henry LC: 2.87E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2416 hours (100.7 days) Half-Life from Model Lake : 2.646E+004 hours (1102 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.99 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1 31 1000 Water 33.2 900 1000 Soil 65.7 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 858 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.51 (Adapted Stein & Brown method) Melting Pt (deg C): 11.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.021 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8380 log Kow used: 1.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.37E-007 atm-m3/mole Group Method: 2.87E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.622E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.77 (KowWin est) Log Kaw used: -4.861 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0842 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5676 (weeks-months) Biowin4 (Primary Survey Model) : 3.7199 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5003 Biowin6 (MITI Non-Linear Model): 0.0237 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4913 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): 2.57 Pa (0.0193 mm Hg) Log Koa (Koawin est ): 6.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.17E-006 Octanol/air (Koa) model: 1.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.21E-005 Mackay model : 9.33E-005 Octanol/air (Koa) model: 8.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.2853 E-12 cm3/molecule-sec Half-Life = 1.291 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.491 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.77E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 46.79 Log Koc: 1.670 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 = 0.011 (BCF = 1.025) log Kow used: 1.77 (estimated) Volatilization from Water: Henry LC: 2.87E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2416 hours (100.7 days) Half-Life from Model Lake : 2.646E+004 hours (1102 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.99 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1 31 1000 Water 33.2 900 1000 Soil 65.7 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 858 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.51 (Adapted Stein & Brown method) Melting Pt (deg C): 11.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.021 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8380 log Kow used: 1.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.37E-007 atm-m3/mole Group Method: 2.87E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.622E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.77 (KowWin est) Log Kaw used: -4.861 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0842 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5676 (weeks-months) Biowin4 (Primary Survey Model) : 3.7199 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5003 Biowin6 (MITI Non-Linear Model): 0.0237 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4913 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): 2.57 Pa (0.0193 mm Hg) Log Koa (Koawin est ): 6.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.17E-006 Octanol/air (Koa) model: 1.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.21E-005 Mackay model : 9.33E-005 Octanol/air (Koa) model: 8.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.2853 E-12 cm3/molecule-sec Half-Life = 1.291 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.491 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.77E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 46.79 Log Koc: 1.670 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 = 0.011 (BCF = 1.025) log Kow used: 1.77 (estimated) Volatilization from Water: Henry LC: 2.87E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2416 hours (100.7 days) Half-Life from Model Lake : 2.646E+004 hours (1102 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.99 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1 31 1000 Water 33.2 900 1000 Soil 65.7 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 858 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight