Try beta.chemspider
2-(3,4-Dimethylphenyl)-N,N-diisopropyl-2-oxoacetamide
O=C(C(=O)c1cc(c(cc1)C)C)N(C(C)C)C(C)C
InChI=1S/C16H23NO2/c1-10(2)17(11(3)4)16(19)15(18)14-8-7-12(5)13(6)9-14/h7-11H,1-6H3
QLYLUIHSOXMESN-UHFFFAOYSA-N
CSID:8508348, http://www.chemspider.com/Chemical-Structure.8508348.html (accessed 03:50, Jul 6, 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) = 3.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.92 (Adapted Stein & Brown method) Melting Pt (deg C): 121.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.8E-006 (Modified Grain method) Subcooled liquid VP: 5.22E-005 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): 19.24 log Kow used: 3.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.328 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.037E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.54 (KowWin est) Log Kaw used: -8.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.722 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9426 Biowin2 (Non-Linear Model) : 0.9586 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4177 (weeks-months) Biowin4 (Primary Survey Model) : 3.5390 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0691 Biowin6 (MITI Non-Linear Model): 0.0362 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4116 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): 0.00696 Pa (5.22E-005 mm Hg) Log Koa (Koawin est ): 11.722 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000431 Octanol/air (Koa) model: 0.129 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0153 Mackay model : 0.0333 Octanol/air (Koa) model: 0.912 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.5374 E-12 cm3/molecule-sec Half-Life = 0.285 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.419 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0243 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 425.1 Log Koc: 2.629 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 = 2.029 (BCF = 106.8) log Kow used: 3.54 (estimated) Volatilization from Water: Henry LC: 1.61E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.879E+006 hours (2.45E+005 days) Half-Life from Model Lake : 6.414E+007 hours (2.672E+006 days) Removal In Wastewater Treatment: Total removal: 13.97 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.78 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 0.00121 6.84 1000 Water 11.6 900 1000 Soil 87.5 1.8e+003 1000 Sediment 0.922 8.1e+003 0 Persistence Time: 1.84e+003 hr
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