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8-Hydroxyoctyl acetate
CC(=O)OCCCCCCCCO
InChI=1S/C10H20O3/c1-10(12)13-9-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3
YXXBWDUFNZATIK-UHFFFAOYSA-N
CSID:219987, http://www.chemspider.com/Chemical-Structure.219987.html (accessed 01:40, Jul 8, 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) = 2.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 277.09 (Adapted Stein & Brown method) Melting Pt (deg C): 40.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000422 (Modified Grain method) Subcooled liquid VP: 0.00058 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): 1610 log Kow used: 2.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1212.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.66E-008 atm-m3/mole Group Method: 1.44E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.493E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.35 (KowWin est) Log Kaw used: -5.720 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.070 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9908 Biowin2 (Non-Linear Model) : 0.9961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0833 (weeks ) Biowin4 (Primary Survey Model) : 3.9345 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0527 Biowin6 (MITI Non-Linear Model): 0.9819 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2690 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): 0.0773 Pa (0.00058 mm Hg) Log Koa (Koawin est ): 8.070 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.88E-005 Octanol/air (Koa) model: 2.88E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0014 Mackay model : 0.00309 Octanol/air (Koa) model: 0.0023 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.5194 E-12 cm3/molecule-sec Half-Life = 0.737 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.840 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00225 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.46 Log Koc: 1.129 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec Kb Half-Life at pH 8: 175.623 days Kb Half-Life at pH 7: 4.808 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.106 (BCF = 12.78) log Kow used: 2.35 (estimated) Volatilization from Water: Henry LC: 1.44E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.579E+004 hours (2325 days) Half-Life from Model Lake : 6.087E+005 hours (2.536E+004 days) Removal In Wastewater Treatment: Total removal: 2.74 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.64 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 0.223 17.7 1000 Water 20.9 360 1000 Soil 78.8 720 1000 Sediment 0.115 3.24e+003 0 Persistence Time: 676 hr
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