Try beta.chemspider
[Isopropoxy(2-methyl-2-propanyl)amino]oxidanyl
CC(C)ON(C(C)(C)C)[O]
InChI=1S/C7H16NO2/c1-6(2)10-8(9)7(3,4)5/h6H,1-5H3
IVCLBVLNOINJCY-UHFFFAOYSA-N
CSID:8806017, http://www.chemspider.com/Chemical-Structure.8806017.html (accessed 18:23, Apr 25, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 263.20 (Adapted Stein & Brown method) Melting Pt (deg C): 42.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000968 (Modified Grain method) Subcooled liquid VP: 0.00139 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): 1671 log Kow used: 1.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 77829 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.01E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.122E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.95 (KowWin est) Log Kaw used: -5.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.735 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4935 Biowin2 (Non-Linear Model) : 0.3090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6617 (weeks-months) Biowin4 (Primary Survey Model) : 3.4819 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2932 Biowin6 (MITI Non-Linear Model): 0.2095 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0619 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): 0.185 Pa (0.00139 mm Hg) Log Koa (Koawin est ): 7.735 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-005 Octanol/air (Koa) model: 1.33E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000584 Mackay model : 0.00129 Octanol/air (Koa) model: 0.00107 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.1856 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.910 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000939 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 639 Log Koc: 2.806 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.805 (BCF = 6.384) log Kow used: 1.95 (estimated) Volatilization from Water: Henry LC: 4.01E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.772E+004 hours (738.2 days) Half-Life from Model Lake : 1.934E+005 hours (8057 days) Removal In Wastewater Treatment: Total removal: 2.20 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.11 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 0.144 3.82 1000 Water 29 900 1000 Soil 70.7 1.8e+003 1000 Sediment 0.106 8.1e+003 0 Persistence Time: 942 hr
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