N-(2,4-Dimethylphenyl)-N'-methylimidoformamide
Cc1ccc(c(c1)C)N/C=N/C
InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)
JIIOLEGNERQDIP-UHFFFAOYSA-N
CSID:33406, http://www.chemspider.com/Chemical-Structure.33406.html (accessed 12:22, Sep 21, 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) = 1.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 253.19 (Adapted Stein & Brown method) Melting Pt (deg C): 32.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0193 (Modified Grain method) Subcooled liquid VP: 0.0226 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): 1663 log Kow used: 1.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 411.59 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.35E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.477E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.88 (KowWin est) Log Kaw used: -4.863 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.743 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5459 Biowin2 (Non-Linear Model) : 0.4880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5560 (weeks-months) Biowin4 (Primary Survey Model) : 3.3682 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1291 Biowin6 (MITI Non-Linear Model): 0.0766 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7170 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): 3.01 Pa (0.0226 mm Hg) Log Koa (Koawin est ): 6.743 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.96E-007 Octanol/air (Koa) model: 1.36E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.6E-005 Mackay model : 7.96E-005 Octanol/air (Koa) model: 0.000109 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 82.5532 E-12 cm3/molecule-sec Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.555 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.78E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 592.2 Log Koc: 2.772 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 = 0.746 (BCF = 5.576) log Kow used: 1.88 (estimated) Volatilization from Water: Henry LC: 3.35E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2227 hours (92.81 days) Half-Life from Model Lake : 2.441E+004 hours (1017 days) Removal In Wastewater Treatment: Total removal: 2.17 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.05 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.19 3.11 1000 Water 33.3 900 1000 Soil 66.4 1.8e+003 1000 Sediment 0.113 8.1e+003 0 Persistence Time: 777 hr
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