Try beta.chemspider
Benzyl (2,2-diethoxyethyl)carbamate
CCOC(CNC(=O)OCc1ccccc1)OCC
InChI=1S/C14H21NO4/c1-3-17-13(18-4-2)10-15-14(16)19-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,15,16)
YBQUFRCXCFAQQM-UHFFFAOYSA-N
CSID:258130, http://www.chemspider.com/Chemical-Structure.258130.html (accessed 16:17, May 12, 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) = 2.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.24 (Adapted Stein & Brown method) Melting Pt (deg C): 106.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.89E-005 (Modified Grain method) Subcooled liquid VP: 0.000181 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): 345.3 log Kow used: 2.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 991.49 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.944E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.04 (KowWin est) Log Kaw used: -9.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1332 Biowin2 (Non-Linear Model) : 0.0079 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5664 (weeks-months) Biowin4 (Primary Survey Model) : 3.6411 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0399 Biowin6 (MITI Non-Linear Model): 0.0361 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1917 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): 0.0241 Pa (0.000181 mm Hg) Log Koa (Koawin est ): 11.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000124 Octanol/air (Koa) model: 0.0582 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00447 Mackay model : 0.00985 Octanol/air (Koa) model: 0.823 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.7247 E-12 cm3/molecule-sec Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.076 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00716 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 73.81 Log Koc: 1.868 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.492E-003 L/mol-sec Kb Half-Life at pH 8: 8.812 years Kb Half-Life at pH 7: 88.124 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.868 (BCF = 7.373) log Kow used: 2.04 (estimated) Volatilization from Water: Henry LC: 1.13E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.471E+007 hours (3.53E+006 days) Half-Life from Model Lake : 9.242E+008 hours (3.851E+007 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.19 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 0.000107 6.15 1000 Water 22.3 900 1000 Soil 77.6 1.8e+003 1000 Sediment 0.0904 8.1e+003 0 Persistence Time: 1.44e+003 hr
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