Undecyl acetate
CCCCCCCCCCCOC(=O)C
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
CKQGCFFDQIFZFA-UHFFFAOYSA-N
CSID:14845, http://www.chemspider.com/Chemical-Structure.14845.html (accessed 14:58, Apr 19, 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) = 5.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 264.89 (Adapted Stein & Brown method) Melting Pt (deg C): 23.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0122 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.132 log Kow used: 5.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3911 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.98E-003 atm-m3/mole Group Method: 3.54E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.040E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.28 (KowWin est) Log Kaw used: -0.914 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.194 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9281 Biowin2 (Non-Linear Model) : 0.9972 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1640 (weeks ) Biowin4 (Primary Survey Model) : 4.0365 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9132 Biowin6 (MITI Non-Linear Model): 0.9576 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7910 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): 1.64 Pa (0.0123 mm Hg) Log Koa (Koawin est ): 6.194 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-006 Octanol/air (Koa) model: 3.84E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-005 Mackay model : 0.000146 Octanol/air (Koa) model: 3.07E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.5008 E-12 cm3/molecule-sec Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.851 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1514 Log Koc: 3.180 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 = 2.369 (BCF = 233.8) log Kow used: 5.28 (estimated) Volatilization from Water: Henry LC: 0.00354 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.736 hours Half-Life from Model Lake : 141.7 hours (5.904 days) Removal In Wastewater Treatment: Total removal: 88.14 percent Total biodegradation: 0.60 percent Total sludge adsorption: 77.16 percent Total to Air: 10.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.74 17.7 1000 Water 11.3 360 1000 Soil 63.8 720 1000 Sediment 23.2 3.24e+003 0 Persistence Time: 539 hr
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