Try beta.chemspider
Bis(2-methyl-2-propanyl) 1,2-ethanediylbiscarbamate
CC(C)(C)OC(=O)NCCNC(=O)OC(C)(C)C
InChI=1S/C12H24N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)
CYEYQHANGHLVOW-UHFFFAOYSA-N
CSID:4575074, http://www.chemspider.com/Chemical-Structure.4575074.html (accessed 10:40, Apr 23, 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) = 2.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 289.72 (Adapted Stein & Brown method) Melting Pt (deg C): 26.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00327 (Modified Grain method) Subcooled liquid VP: 0.00336 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): 227.4 log Kow used: 2.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4149.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.926E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.29 (KowWin est) Log Kaw used: -7.317 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.607 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4148 Biowin2 (Non-Linear Model) : 0.1076 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1062 (months ) Biowin4 (Primary Survey Model) : 3.5525 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0872 Biowin6 (MITI Non-Linear Model): 0.0848 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2578 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): 0.448 Pa (0.00336 mm Hg) Log Koa (Koawin est ): 9.607 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.7E-006 Octanol/air (Koa) model: 0.000993 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000242 Mackay model : 0.000535 Octanol/air (Koa) model: 0.0736 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.6360 E-12 cm3/molecule-sec Half-Life = 0.453 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.430 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000389 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 376.9 Log Koc: 2.576 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.962E-005 L/mol-sec Kb Half-Life at pH 8: 1119.340 years Kb Half-Life at pH 7: 1.119E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.067 (BCF = 11.66) log Kow used: 2.29 (estimated) Volatilization from Water: Henry LC: 1.18E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.006E+005 hours (3.336E+004 days) Half-Life from Model Lake : 8.734E+006 hours (3.639E+005 days) Removal In Wastewater Treatment: Total removal: 2.62 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.52 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 0.00725 10.9 1000 Water 17.7 1.44e+003 1000 Soil 82.1 2.88e+003 1000 Sediment 0.105 1.3e+004 0 Persistence Time: 2.15e+003 hr
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