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2-(2-Chloroethoxy)ethyl 2-(1-naphthyl)-2-propylpentanoate
CCCC(CCC)(c1cccc2c1cccc2)C(=O)OCCOCCCl
InChI=1S/C22H29ClO3/c1-3-12-22(13-4-2,21(24)26-17-16-25-15-14-23)20-11-7-9-18-8-5-6-10-19(18)20/h5-11H,3-4,12-17H2,1-2H3
FIWUQALICRROQF-UHFFFAOYSA-N
CSID:267047, http://www.chemspider.com/Chemical-Structure.267047.html (accessed 18:01, Apr 24, 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) = 6.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 454.35 (Adapted Stein & Brown method) Melting Pt (deg C): 172.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.15E-008 (Modified Grain method) Subcooled liquid VP: 3.83E-007 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): 0.01055 log Kow used: 6.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0079738 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.50E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.406E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.56 (KowWin est) Log Kaw used: -5.648 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.208 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0996 Biowin2 (Non-Linear Model) : 0.0051 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1125 (months ) Biowin4 (Primary Survey Model) : 3.2691 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4584 Biowin6 (MITI Non-Linear Model): 0.1255 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2174 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): 5.11E-005 Pa (3.83E-007 mm Hg) Log Koa (Koawin est ): 12.208 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0587 Octanol/air (Koa) model: 0.396 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.68 Mackay model : 0.825 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.3261 E-12 cm3/molecule-sec Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.163 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.752 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.284E+004 Log Koc: 4.798 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.838E-004 L/mol-sec Kb Half-Life at pH 8: 37.618 years Kb Half-Life at pH 7: 376.177 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.854 (BCF = 713.8) log Kow used: 6.56 (estimated) Volatilization from Water: Henry LC: 5.5E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.067E+004 hours (861.2 days) Half-Life from Model Lake : 2.256E+005 hours (9402 days) Removal In Wastewater Treatment: Total removal: 93.51 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.74 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 0.0353 4.33 1000 Water 1.82 1.44e+003 1000 Soil 34.6 2.88e+003 1000 Sediment 63.5 1.3e+004 0 Persistence Time: 4.61e+003 hr
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