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2-Ethylhexyl laurate
CCCCCCCCCCCC(=O)OCC(CC)CCCC
InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3
LWLRMRFJCCMNML-UHFFFAOYSA-N
CSID:80596, http://www.chemspider.com/Chemical-Structure.80596.html (accessed 07:26, 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) = 8.65 Log Kow (Exper. database match) = 8.03 Exper. Ref: Krop,HB et al. (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.60 (Adapted Stein & Brown method) Melting Pt (deg C): 81.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.16E-005 (Modified Grain method) Subcooled liquid VP: 0.000108 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): 0.001439 log Kow used: 8.03 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0005919 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.17E-002 atm-m3/mole Group Method: 4.77E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.031E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.03 (exp database) Log Kaw used: -0.052 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.082 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9898 Biowin2 (Non-Linear Model) : 0.9982 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2454 (weeks ) Biowin4 (Primary Survey Model) : 4.1639 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8179 Biowin6 (MITI Non-Linear Model): 0.9129 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3578 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): 0.0144 Pa (0.000108 mm Hg) Log Koa (Koawin est ): 8.082 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000208 Octanol/air (Koa) model: 2.96E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00747 Mackay model : 0.0164 Octanol/air (Koa) model: 0.00237 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.8831 E-12 cm3/molecule-sec Half-Life = 0.448 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.374 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.06E+005 Log Koc: 5.025 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.553E-002 L/mol-sec Kb Half-Life at pH 8: 1.414 years Kb Half-Life at pH 7: 14.145 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.899 (BCF = 79.23) log Kow used: 8.03 (expkow database) Volatilization from Water: Henry LC: 0.0477 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.826 hours Half-Life from Model Lake : 168.2 hours (7.006 days) Removal In Wastewater Treatment: Total removal: 94.07 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.96 percent Total to Air: 0.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.363 10.7 1000 Water 3.77 360 1000 Soil 28.1 720 1000 Sediment 67.7 3.24e+003 0 Persistence Time: 1.23e+003 hr
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