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2-Methyl-2-propanyl [1-(methyl{2-[(2-methylphenyl)amino]-2-oxo-1-phenylethyl}amino)-1-oxo-2-propanyl]carbamate
Cc1ccccc1/N=C(/C(c2ccccc2)N(C)C(=O)C(C)/N=C(\O)/OC(C)(C)C)\O
InChI=1S/C24H31N3O4/c1-16-12-10-11-15-19(16)26-21(28)20(18-13-8-7-9-14-18)27(6)22(29)17(2)25-23(30)31-24(3,4)5/h7-15,17,20H,1-6H3,(H,25,30)(H,26,28)
MMABQYNLTNOPOP-UHFFFAOYSA-N
CSID:16499850, http://www.chemspider.com/Chemical-Structure.16499850.html (accessed 03:34, Apr 26, 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 583.31 (Adapted Stein & Brown method) Melting Pt (deg C): 251.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.3E-016 (Modified Grain method) Subcooled liquid VP: 1.25E-013 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): 5.44 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1106.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.74E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.426E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: -15.560 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.590 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7539 Biowin2 (Non-Linear Model) : 0.5770 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9396 (months ) Biowin4 (Primary Survey Model) : 3.2221 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3025 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6091 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): 1.67E-011 Pa (1.25E-013 mm Hg) Log Koa (Koawin est ): 18.590 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.8E+005 Octanol/air (Koa) model: 9.55E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.8221 E-12 cm3/molecule-sec Half-Life = 0.179 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.146 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 925.6 Log Koc: 2.966 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 = 1.637 (BCF = 43.31) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 6.74E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.792E+014 hours (7.466E+012 days) Half-Life from Model Lake : 1.955E+015 hours (8.145E+013 days) Removal In Wastewater Treatment: Total removal: 5.95 percent Total biodegradation: 0.13 percent Total sludge adsorption: 5.83 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 0.000409 4.29 1000 Water 10.6 1.44e+003 1000 Soil 89.1 2.88e+003 1000 Sediment 0.285 1.3e+004 0 Persistence Time: 2.69e+003 hr
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