3,3-Dimethylpentanamide
O=C(N)CC(C)(C)CC
InChI=1S/C7H15NO/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H2,8,9)
GTEXJHWORUNPND-UHFFFAOYSA-N
CSID:7969537, http://www.chemspider.com/Chemical-Structure.7969537.html (accessed 11:47, Oct 3, 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) = 1.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 253.84 (Adapted Stein & Brown method) Melting Pt (deg C): 59.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0105 (Modified Grain method) Subcooled liquid VP: 0.0218 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): 9057 log Kow used: 1.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29395 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.61E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.971E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.18 (KowWin est) Log Kaw used: -5.725 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7123 Biowin2 (Non-Linear Model) : 0.8949 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6473 (weeks-months) Biowin4 (Primary Survey Model) : 3.7133 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6221 Biowin6 (MITI Non-Linear Model): 0.7306 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2528 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): 2.91 Pa (0.0218 mm Hg) Log Koa (Koawin est ): 6.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-006 Octanol/air (Koa) model: 1.97E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.73E-005 Mackay model : 8.26E-005 Octanol/air (Koa) model: 0.000158 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5123 E-12 cm3/molecule-sec Half-Life = 2.370 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.445 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.99E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.54 Log Koc: 1.927 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 = 0.210 (BCF = 1.623) log Kow used: 1.18 (estimated) Volatilization from Water: Henry LC: 4.61E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.444E+004 hours (601.5 days) Half-Life from Model Lake : 1.576E+005 hours (6566 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 0.488 56.9 1000 Water 40 900 1000 Soil 59.5 1.8e+003 1000 Sediment 0.0883 8.1e+003 0 Persistence Time: 957 hr
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