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N-(4-Hydroxyphenyl)acetamide
CC(=O)Nc1ccc(cc1)O
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
RZVAJINKPMORJF-UHFFFAOYSA-N
CSID:1906, http://www.chemspider.com/Chemical-Structure.1906.html (accessed 08:42, Nov 28, 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) = 0.27 Log Kow (Exper. database match) = 0.46 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method) Melting Pt (deg C): 119.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method) MP (exp database): 170 deg C Subcooled liquid VP: 6.12E-005 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): 3.035e+004 log Kow used: 0.46 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3665e+005 mg/L Wat Sol (Exper. database match) = 14000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.42E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.46 (exp database) Log Kaw used: -10.581 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.041 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0015 Biowin2 (Non-Linear Model) : 0.9886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8673 (weeks ) Biowin4 (Primary Survey Model) : 3.8748 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4866 Biowin6 (MITI Non-Linear Model): 0.5090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1124 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): 0.00816 Pa (6.12E-005 mm Hg) Log Koa (Koawin est ): 11.041 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000368 Octanol/air (Koa) model: 0.027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0131 Mackay model : 0.0286 Octanol/air (Koa) model: 0.683 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.261 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 61.72 Log Koc: 1.790 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 = 0.500 (BCF = 3.162) log Kow used: 0.46 (expkow database) Volatilization from Water: Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.121E+009 hours (4.672E+007 days) Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.57e-005 14.5 1000 Water 37.5 360 1000 Soil 62.4 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.27 Log Kow (Exper. database match) = 0.46 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method) Melting Pt (deg C): 119.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method) MP (exp database): 170 deg C Subcooled liquid VP: 6.12E-005 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): 3.035e+004 log Kow used: 0.46 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3665e+005 mg/L Wat Sol (Exper. database match) = 14000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.42E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.46 (exp database) Log Kaw used: -10.581 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.041 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0015 Biowin2 (Non-Linear Model) : 0.9886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8673 (weeks ) Biowin4 (Primary Survey Model) : 3.8748 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4866 Biowin6 (MITI Non-Linear Model): 0.5090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1124 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): 0.00816 Pa (6.12E-005 mm Hg) Log Koa (Koawin est ): 11.041 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000368 Octanol/air (Koa) model: 0.027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0131 Mackay model : 0.0286 Octanol/air (Koa) model: 0.683 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.261 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 61.72 Log Koc: 1.790 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 = 0.500 (BCF = 3.162) log Kow used: 0.46 (expkow database) Volatilization from Water: Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.121E+009 hours (4.672E+007 days) Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.57e-005 14.5 1000 Water 37.5 360 1000 Soil 62.4 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.27 Log Kow (Exper. database match) = 0.46 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method) Melting Pt (deg C): 119.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method) MP (exp database): 170 deg C Subcooled liquid VP: 6.12E-005 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): 3.035e+004 log Kow used: 0.46 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3665e+005 mg/L Wat Sol (Exper. database match) = 14000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.42E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.46 (exp database) Log Kaw used: -10.581 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.041 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0015 Biowin2 (Non-Linear Model) : 0.9886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8673 (weeks ) Biowin4 (Primary Survey Model) : 3.8748 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4866 Biowin6 (MITI Non-Linear Model): 0.5090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1124 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): 0.00816 Pa (6.12E-005 mm Hg) Log Koa (Koawin est ): 11.041 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000368 Octanol/air (Koa) model: 0.027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0131 Mackay model : 0.0286 Octanol/air (Koa) model: 0.683 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.261 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 61.72 Log Koc: 1.790 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 = 0.500 (BCF = 3.162) log Kow used: 0.46 (expkow database) Volatilization from Water: Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.121E+009 hours (4.672E+007 days) Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.57e-005 14.5 1000 Water 37.5 360 1000 Soil 62.4 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.27 Log Kow (Exper. database match) = 0.46 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 340.65 (Adapted Stein & Brown method) Melting Pt (deg C): 119.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.94E-006 (Modified Grain method) MP (exp database): 170 deg C Subcooled liquid VP: 6.12E-005 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): 3.035e+004 log Kow used: 0.46 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.4e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3665e+005 mg/L Wat Sol (Exper. database match) = 14000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.42E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.271E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.46 (exp database) Log Kaw used: -10.581 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.041 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0015 Biowin2 (Non-Linear Model) : 0.9886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8673 (weeks ) Biowin4 (Primary Survey Model) : 3.8748 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4866 Biowin6 (MITI Non-Linear Model): 0.5090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1124 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): 0.00816 Pa (6.12E-005 mm Hg) Log Koa (Koawin est ): 11.041 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000368 Octanol/air (Koa) model: 0.027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0131 Mackay model : 0.0286 Octanol/air (Koa) model: 0.683 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.6761 E-12 cm3/molecule-sec Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.261 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0208 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 61.72 Log Koc: 1.790 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 = 0.500 (BCF = 3.162) log Kow used: 0.46 (expkow database) Volatilization from Water: Henry LC: 6.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.121E+009 hours (4.672E+007 days) Half-Life from Model Lake : 1.223E+010 hours (5.097E+008 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.57e-005 14.5 1000 Water 37.5 360 1000 Soil 62.4 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr
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