2-Methoxyethyl laurate
CCCCCCCCCCCC(=O)OCCOC
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(16)18-14-13-17-2/h3-14H2,1-2H3
IPVODXIAEDUZIY-UHFFFAOYSA-N
CSID:72762, http://www.chemspider.com/Chemical-Structure.72762.html (accessed 10:25, Jun 2, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 311.49 (Adapted Stein & Brown method) Melting Pt (deg C): 59.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000509 (Modified Grain method) Subcooled liquid VP: 0.00106 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): 1.119 log Kow used: 5.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6613 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.63E-005 atm-m3/mole Group Method: 7.92E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.547E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.01 (KowWin est) Log Kaw used: -2.723 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5598 Biowin2 (Non-Linear Model) : 0.8621 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0580 (weeks ) Biowin4 (Primary Survey Model) : 3.9632 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8824 Biowin6 (MITI Non-Linear Model): 0.9307 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5857 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): 0.141 Pa (0.00106 mm Hg) Log Koa (Koawin est ): 7.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12E-005 Octanol/air (Koa) model: 1.33E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000766 Mackay model : 0.0017 Octanol/air (Koa) model: 0.00106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.6521 E-12 cm3/molecule-sec Half-Life = 0.472 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.666 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00123 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 541.6 Log Koc: 2.734 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 = 2.157 (BCF = 143.7) log Kow used: 5.01 (estimated) Volatilization from Water: Henry LC: 7.92E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 120.5 hours (5.02 days) Half-Life from Model Lake : 1449 hours (60.38 days) Removal In Wastewater Treatment: Total removal: 78.05 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.29 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.823 11.3 1000 Water 17.9 360 1000 Soil 60.5 720 1000 Sediment 20.8 3.24e+003 0 Persistence Time: 575 hr
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