2,2-Dimethyl-N-(2-methyl-2-propanyl)butanamide
CCC(C)(C)C(=O)NC(C)(C)C
InChI=1S/C10H21NO/c1-7-10(5,6)8(12)11-9(2,3)4/h7H2,1-6H3,(H,11,12)
ZBRRLABBHRYWNV-UHFFFAOYSA-N
CSID:2751854, http://www.chemspider.com/Chemical-Structure.2751854.html (accessed 00:19, Sep 30, 2023)
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) = 2.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.77 (Adapted Stein & Brown method) Melting Pt (deg C): 75.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00171 (Modified Grain method) Subcooled liquid VP: 0.00511 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): 427.8 log Kow used: 2.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5710.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.78E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.009E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.52 (KowWin est) Log Kaw used: -5.138 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.658 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5083 Biowin2 (Non-Linear Model) : 0.4555 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3422 (weeks-months) Biowin4 (Primary Survey Model) : 3.4992 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5163 Biowin6 (MITI Non-Linear Model): 0.4528 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8517 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): 0.681 Pa (0.00511 mm Hg) Log Koa (Koawin est ): 7.658 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.4E-006 Octanol/air (Koa) model: 1.12E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000159 Mackay model : 0.000352 Octanol/air (Koa) model: 0.000893 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.8725 E-12 cm3/molecule-sec Half-Life = 0.984 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.805 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000256 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 279.8 Log Koc: 2.447 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 = 1.240 (BCF = 17.37) log Kow used: 2.52 (estimated) Volatilization from Water: Henry LC: 1.78E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4306 hours (179.4 days) Half-Life from Model Lake : 4.709E+004 hours (1962 days) Removal In Wastewater Treatment: Total removal: 3.16 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.05 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 0.556 23.6 1000 Water 20.3 900 1000 Soil 79 1.8e+003 1000 Sediment 0.173 8.1e+003 0 Persistence Time: 1.13e+003 hr
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