2-Naphthylmethyl cyclopropanecarboxylate
c1ccc2cc(ccc2c1)COC(=O)C3CC3
InChI=1S/C15H14O2/c16-15(13-7-8-13)17-10-11-5-6-12-3-1-2-4-14(12)9-11/h1-6,9,13H,7-8,10H2
VZPRFNYMFQEGNV-UHFFFAOYSA-N
CSID:152621, http://www.chemspider.com/Chemical-Structure.152621.html (accessed 13:26, Nov 28, 2023)
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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.49 (Adapted Stein & Brown method) Melting Pt (deg C): 102.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.32E-005 (Modified Grain method) Subcooled liquid VP: 0.000188 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): 11.01 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0303 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-006 atm-m3/mole Group Method: 3.70E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.978E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -4.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.409 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8140 Biowin2 (Non-Linear Model) : 0.9797 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8393 (weeks ) Biowin4 (Primary Survey Model) : 3.7502 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4364 Biowin6 (MITI Non-Linear Model): 0.3774 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1320 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): 0.0251 Pa (0.000188 mm Hg) Log Koa (Koawin est ): 8.409 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00012 Octanol/air (Koa) model: 6.3E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0043 Mackay model : 0.00948 Octanol/air (Koa) model: 0.00501 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.2419 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.323 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00689 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5520 Log Koc: 3.742 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 = 0.771 (BCF = 5.902) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 3.7E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.38E+004 hours (991.9 days) Half-Life from Model Lake : 2.598E+005 hours (1.083E+004 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.255 4.65 1000 Water 20.3 360 1000 Soil 76.5 720 1000 Sediment 2.88 3.24e+003 0 Persistence Time: 574 hr
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