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4-(Methoxymethyl)benzyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
CC(=CC1C(C1(C)C)C(=O)OCc2ccc(cc2)COC)C
InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3
GQNBIMLHUAWKHJ-UHFFFAOYSA-N
CSID:33791, http://www.chemspider.com/Chemical-Structure.33791.html (accessed 12:50, 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) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.10 (Adapted Stein & Brown method) Melting Pt (deg C): 115.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.3E-006 (Modified Grain method) Subcooled liquid VP: 5.77E-005 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): 0.3811 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2966 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.08E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.622E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -4.481 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.741 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2465 Biowin2 (Non-Linear Model) : 0.0864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4503 (weeks-months) Biowin4 (Primary Survey Model) : 3.4772 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1799 Biowin6 (MITI Non-Linear Model): 0.0333 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3724 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00769 Pa (5.77E-005 mm Hg) Log Koa (Koawin est ): 9.741 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00039 Octanol/air (Koa) model: 0.00135 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0139 Mackay model : 0.0303 Octanol/air (Koa) model: 0.0976 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.5077 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.264 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0221 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3609 Log Koc: 3.557 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.021E-002 L/mol-sec Kb Half-Life at pH 8: 199.518 days Kb Half-Life at pH 7: 5.463 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.702 (BCF = 50.34) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 8.08E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1262 hours (52.58 days) Half-Life from Model Lake : 1.391E+004 hours (579.7 days) Removal In Wastewater Treatment: Total removal: 84.40 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.67 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.015 0.511 1000 Water 9.37 900 1000 Soil 53.5 1.8e+003 1000 Sediment 37.2 8.1e+003 0 Persistence Time: 1.62e+003 hr
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