2-(1,3-Dioxolan-2-yl)phenyl methylcarbamate
CNC(=O)Oc1ccccc1C2OCCO2
InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
SDKQRNRRDYRQKY-UHFFFAOYSA-N
CSID:21901, http://www.chemspider.com/Chemical-Structure.21901.html (accessed 05:26, Apr 19, 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) = 0.25 Log Kow (Exper. database match) = 0.67 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 324.68 (Adapted Stein & Brown method) Melting Pt (deg C): 96.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.82E-005 (Modified Grain method) MP (exp database): 114.5 deg C VP (exp database): 3.00E-07 mm Hg at 25 deg C Subcooled liquid VP: 2.3E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8860 log Kow used: 0.67 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 6000 mg/L (20 deg C) Exper. Ref: SHIU,WY ET AL (1990) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 33234 mg/L Wat Sol (Exper. database match) = 6000.00 Exper. Ref: SHIU,WY ET AL (1990) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-011 atm-m3/mole Group Method: Incomplete Exper Database: 1.47E-11 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.261E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.67 (exp database) Log Kaw used: -9.221 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.891 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0261 Biowin2 (Non-Linear Model) : 0.0024 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6418 (weeks-months) Biowin4 (Primary Survey Model) : 3.6998 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0705 Biowin6 (MITI Non-Linear Model): 0.0774 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3467 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): 0.000307 Pa (2.3E-006 mm Hg) Log Koa (Koawin est ): 9.891 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00978 Octanol/air (Koa) model: 0.00191 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.261 Mackay model : 0.439 Octanol/air (Koa) model: 0.133 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.6321 E-12 cm3/molecule-sec Half-Life = 0.518 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.221 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.35 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.680E+000 L/mol-sec Kb Half-Life at pH 8: 1.714 days Kb Half-Life at pH 7: 17.143 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.67 (expkow database) Volatilization from Water: Henry LC: 1.47E-011 atm-m3/mole (Henry experimental database) Half-Life from Model River: 5.951E+007 hours (2.479E+006 days) Half-Life from Model Lake : 6.492E+008 hours (2.705E+007 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.000198 12.4 1000 Water 43.5 900 1000 Soil 56.4 1.8e+003 1000 Sediment 0.0873 8.1e+003 0 Persistence Time: 1.01e+003 hr
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