2-Methyl-2-propanyl (3-aminocyclobutyl)carbamate
CC(C)(C)OC(=O)NC1CC(C1)N
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12)
OPDOEOOBYOABCJ-UHFFFAOYSA-N
CSID:17354814, http://www.chemspider.com/Chemical-Structure.17354814.html (accessed 07:17, Apr 16, 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) = 1.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 256.32 (Adapted Stein & Brown method) Melting Pt (deg C): 60.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00902 (Modified Grain method) Subcooled liquid VP: 0.0192 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): 6.49e+004 log Kow used: 1.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9049e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.16E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.406E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.06 (KowWin est) Log Kaw used: -9.054 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.114 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7083 Biowin2 (Non-Linear Model) : 0.6813 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5532 (weeks-months) Biowin4 (Primary Survey Model) : 3.6625 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2810 Biowin6 (MITI Non-Linear Model): 0.1145 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2793 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): 2.56 Pa (0.0192 mm Hg) Log Koa (Koawin est ): 10.114 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.17E-006 Octanol/air (Koa) model: 0.00319 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.23E-005 Mackay model : 9.37E-005 Octanol/air (Koa) model: 0.203 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.7995 E-12 cm3/molecule-sec Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.308 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.8E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.85 Log Koc: 1.074 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.928E-006 L/mol-sec Kb Half-Life at pH 8: 4456.481 years Kb Half-Life at pH 7: 4.456E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.117 (BCF = 1.309) log Kow used: 1.06 (estimated) Volatilization from Water: Henry LC: 2.16E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.699E+007 hours (1.541E+006 days) Half-Life from Model Lake : 4.036E+008 hours (1.682E+007 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 0.000276 6.62 1000 Water 39.9 900 1000 Soil 60 1.8e+003 1000 Sediment 0.0854 8.1e+003 0 Persistence Time: 1.07e+003 hr
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