Try beta.chemspider
2-(4-Heptyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CCCCCCCC1(C(=O)N(C(=O)N1)CC(=O)Nc2cc(on2)C)C
InChI=1S/C17H26N4O4/c1-4-5-6-7-8-9-17(3)15(23)21(16(24)19-17)11-14(22)18-13-10-12(2)25-20-13/h10H,4-9,11H2,1-3H3,(H,19,24)(H,18,20,22)
HPINNGXHNFNVPU-UHFFFAOYSA-N
CSID:4180216, http://www.chemspider.com/Chemical-Structure.4180216.html (accessed 15:35, 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) = 1.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 604.17 (Adapted Stein & Brown method) Melting Pt (deg C): 261.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.49E-013 (Modified Grain method) Subcooled liquid VP: 5.74E-011 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): 140.7 log Kow used: 1.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3929 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.46E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.883E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.92 (KowWin est) Log Kaw used: -13.578 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.498 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7700 Biowin2 (Non-Linear Model) : 0.8056 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3819 (weeks-months) Biowin4 (Primary Survey Model) : 3.5947 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2603 Biowin6 (MITI Non-Linear Model): 0.0556 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8282 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): 7.65E-009 Pa (5.74E-011 mm Hg) Log Koa (Koawin est ): 15.498 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 392 Octanol/air (Koa) model: 773 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 = 168.2671 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.763 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 : 2270 Log Koc: 3.356 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 = 0.780 (BCF = 6.023) log Kow used: 1.92 (estimated) Volatilization from Water: Henry LC: 6.46E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.697E+012 hours (7.069E+010 days) Half-Life from Model Lake : 1.851E+013 hours (7.712E+011 days) Removal In Wastewater Treatment: Total removal: 2.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 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 0.000177 1.53 1000 Water 24.5 900 1000 Soil 75.4 1.8e+003 1000 Sediment 0.0866 8.1e+003 0 Persistence Time: 1.38e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight