5,6,7,8-Tetrahydro-2-naphthalenol
c1cc2c(cc1O)CCCC2
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
UMKXSOXZAXIOPJ-UHFFFAOYSA-N
CSID:13667, http://www.chemspider.com/Chemical-Structure.13667.html (accessed 13:16, Nov 28, 2023)
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) = 2.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.52 (Adapted Stein & Brown method) Melting Pt (deg C): 53.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000348 (Modified Grain method) Subcooled liquid VP: 0.000641 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): 245.3 log Kow used: 2.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 81.121 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.767E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.93 (KowWin est) Log Kaw used: -2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8357 Biowin2 (Non-Linear Model) : 0.8831 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0316 (weeks ) Biowin4 (Primary Survey Model) : 3.7634 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5298 Biowin6 (MITI Non-Linear Model): 0.5703 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2682 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0855 Pa (0.000641 mm Hg) Log Koa (Koawin est ): 5.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.51E-005 Octanol/air (Koa) model: 1.87E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00127 Mackay model : 0.0028 Octanol/air (Koa) model: 1.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.0137 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.578 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 8.203750 E-17 cm3/molecule-sec Half-Life = 0.140 Days (at 7E11 mol/cm3) Half-Life = 3.353 Hrs Fraction sorbed to airborne particulates (phi): 0.00203 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 54.61 Log Koc: 1.737 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 = 1.552 (BCF = 35.68) log Kow used: 2.93 (estimated) Volatilization from Water: Henry LC: 2.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 27.35 hours (1.14 days) Half-Life from Model Lake : 400.5 hours (16.69 days) Removal In Wastewater Treatment: Total removal: 6.52 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.97 percent Total to Air: 1.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.102 0.86 1000 Water 24.5 360 1000 Soil 75 720 1000 Sediment 0.36 3.24e+003 0 Persistence Time: 440 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.52 (Adapted Stein & Brown method) Melting Pt (deg C): 53.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000348 (Modified Grain method) Subcooled liquid VP: 0.000641 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): 245.3 log Kow used: 2.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 81.121 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.767E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.93 (KowWin est) Log Kaw used: -2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8357 Biowin2 (Non-Linear Model) : 0.8831 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0316 (weeks ) Biowin4 (Primary Survey Model) : 3.7634 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5298 Biowin6 (MITI Non-Linear Model): 0.5703 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2682 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0855 Pa (0.000641 mm Hg) Log Koa (Koawin est ): 5.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.51E-005 Octanol/air (Koa) model: 1.87E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00127 Mackay model : 0.0028 Octanol/air (Koa) model: 1.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.0137 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.578 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 8.203750 E-17 cm3/molecule-sec Half-Life = 0.140 Days (at 7E11 mol/cm3) Half-Life = 3.353 Hrs Fraction sorbed to airborne particulates (phi): 0.00203 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 54.61 Log Koc: 1.737 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 = 1.552 (BCF = 35.68) log Kow used: 2.93 (estimated) Volatilization from Water: Henry LC: 2.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 27.35 hours (1.14 days) Half-Life from Model Lake : 400.5 hours (16.69 days) Removal In Wastewater Treatment: Total removal: 6.52 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.97 percent Total to Air: 1.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.102 0.86 1000 Water 24.5 360 1000 Soil 75 720 1000 Sediment 0.36 3.24e+003 0 Persistence Time: 440 hr
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