Try beta.chemspider
Isobutyl bis(hydroxymethyl)carbamate
CC(C)COC(=O)N(CO)CO
InChI=1S/C7H15NO4/c1-6(2)3-12-7(11)8(4-9)5-10/h6,9-10H,3-5H2,1-2H3
SINROXZVULQBQU-UHFFFAOYSA-N
CSID:36830, http://www.chemspider.com/Chemical-Structure.36830.html (accessed 01:52, Apr 26, 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) = 0.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.39 (Adapted Stein & Brown method) Melting Pt (deg C): 67.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.25E-005 (Modified Grain method) Subcooled liquid VP: 0.000107 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): 3.531e+004 log Kow used: 0.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.38E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.806E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.24 (KowWin est) Log Kaw used: -8.012 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.252 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0602 Biowin2 (Non-Linear Model) : 0.9767 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0808 (weeks ) Biowin4 (Primary Survey Model) : 4.0446 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5622 Biowin6 (MITI Non-Linear Model): 0.7436 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8546 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0143 Pa (0.000107 mm Hg) Log Koa (Koawin est ): 8.252 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00021 Octanol/air (Koa) model: 4.39E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00754 Mackay model : 0.0165 Octanol/air (Koa) model: 0.0035 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.2501 E-12 cm3/molecule-sec Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.130 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.012 (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 : 2.018E-011 L/mol-sec Kb Half-Life at pH 8: 1.088E+009 years Kb Half-Life at pH 7: 1.088E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.24 (estimated) Volatilization from Water: Henry LC: 2.38E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.275E+006 hours (1.364E+005 days) Half-Life from Model Lake : 3.572E+007 hours (1.488E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.00554 4.26 1000 Water 38.2 360 1000 Soil 61.7 720 1000 Sediment 0.071 3.24e+003 0 Persistence Time: 581 hr
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