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[Methyl(nitroso)amino]methyl pivalate
CC(C)(C)C(=O)OCN(C)N=O
InChI=1S/C7H14N2O3/c1-7(2,3)6(10)12-5-9(4)8-11/h5H2,1-4H3
BOASPQITGIFGOF-UHFFFAOYSA-N
CSID:129449, http://www.chemspider.com/Chemical-Structure.129449.html (accessed 11:44, Apr 24, 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) = 1.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.17 (Adapted Stein & Brown method) Melting Pt (deg C): 46.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00799 (Modified Grain method) Subcooled liquid VP: 0.0125 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): 3645 log Kow used: 1.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4824e+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 : 2.29E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.024E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.41 (KowWin est) Log Kaw used: -5.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.439 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1304 Biowin2 (Non-Linear Model) : 0.4092 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3572 (weeks-months) Biowin4 (Primary Survey Model) : 3.6904 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4518 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3814 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): 1.67 Pa (0.0125 mm Hg) Log Koa (Koawin est ): 6.439 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.8E-006 Octanol/air (Koa) model: 6.75E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.5E-005 Mackay model : 0.000144 Octanol/air (Koa) model: 5.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.6646 E-12 cm3/molecule-sec Half-Life = 0.683 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.194 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000104 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.01 Log Koc: 1.924 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.291E-002 L/mol-sec Kb Half-Life at pH 8: 186.931 days Kb Half-Life at pH 7: 5.118 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.388 (BCF = 2.446) log Kow used: 1.41 (estimated) Volatilization from Water: Henry LC: 2.29E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3376 hours (140.7 days) Half-Life from Model Lake : 3.694E+004 hours (1539 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.771 16.4 1000 Water 41 900 1000 Soil 58.2 1.8e+003 1000 Sediment 0.0988 8.1e+003 0 Persistence Time: 739 hr
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