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Chloromethyl laurate
CCCCCCCCCCCC(=O)OCCl
InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3
XCHDYWCWXAASER-UHFFFAOYSA-N
CSID:473256, http://www.chemspider.com/Chemical-Structure.473256.html (accessed 21:27, Jul 1, 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) = 5.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 306.40 (Adapted Stein & Brown method) Melting Pt (deg C): 50.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000813 (Modified Grain method) Subcooled liquid VP: 0.00139 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): 0.4478 log Kow used: 5.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.50714 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.944E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.54 (KowWin est) Log Kaw used: -1.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.907 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8003 Biowin2 (Non-Linear Model) : 0.9720 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9147 (weeks ) Biowin4 (Primary Survey Model) : 3.8862 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8608 Biowin6 (MITI Non-Linear Model): 0.8692 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8819 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): 0.185 Pa (0.00139 mm Hg) Log Koa (Koawin est ): 6.907 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-005 Octanol/air (Koa) model: 1.98E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000584 Mackay model : 0.00129 Octanol/air (Koa) model: 0.000158 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5445 E-12 cm3/molecule-sec Half-Life = 0.790 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.476 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000939 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2926 Log Koc: 3.466 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.851E+000 L/mol-sec Kb Half-Life at pH 8: 2.083 days Kb Half-Life at pH 7: 20.830 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.564 (BCF = 366.7) log Kow used: 5.54 (estimated) Volatilization from Water: Henry LC: 0.00105 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.489 hours Half-Life from Model Lake : 159.4 hours (6.642 days) Removal In Wastewater Treatment: Total removal: 89.34 percent Total biodegradation: 0.72 percent Total sludge adsorption: 86.34 percent Total to Air: 2.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.48 19 1000 Water 9.87 360 1000 Soil 54.9 720 1000 Sediment 33.7 3.24e+003 0 Persistence Time: 630 hr
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