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2-Butoxyethyl laurate
CCCCCCCCCCCC(=O)OCCOCCCC
InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3
QJENVPXXRBETHA-UHFFFAOYSA-N
CSID:60317, http://www.chemspider.com/Chemical-Structure.60317.html (accessed 20:30, Apr 25, 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) = 6.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 349.44 (Adapted Stein & Brown method) Melting Pt (deg C): 87.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.44E-005 (Modified Grain method) Subcooled liquid VP: 0.000136 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): 0.03547 log Kow used: 6.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.07578 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-004 atm-m3/mole Group Method: 2.13E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.835E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.48 (KowWin est) Log Kaw used: -2.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.835 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6482 Biowin2 (Non-Linear Model) : 0.9560 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2634 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1716 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9055 Biowin6 (MITI Non-Linear Model): 0.9353 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3459 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): 0.0181 Pa (0.000136 mm Hg) Log Koa (Koawin est ): 8.835 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000165 Octanol/air (Koa) model: 0.000168 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00594 Mackay model : 0.0131 Octanol/air (Koa) model: 0.0133 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.1673 E-12 cm3/molecule-sec Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.757 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3398 Log Koc: 3.531 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec Kb Half-Life at pH 8: 129.295 days Kb Half-Life at pH 7: 3.540 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.792 (BCF = 619.3) log Kow used: 6.48 (estimated) Volatilization from Water: Henry LC: 2.13E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 49.42 hours (2.059 days) Half-Life from Model Lake : 684.5 hours (28.52 days) Removal In Wastewater Treatment: Total removal: 93.41 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.62 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.55 7.51 1000 Water 7.69 208 1000 Soil 33.8 416 1000 Sediment 57.9 1.87e+003 0 Persistence Time: 594 hr
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