2,5-Dihydro-1H-imidazole
C1\C=N/CN1
InChI=1S/C3H6N2/c1-2-5-3-4-1/h1,5H,2-3H2
FFMBYMANYCDCMK-UHFFFAOYSA-N
CSID:10609285, http://www.chemspider.com/Chemical-Structure.10609285.html (accessed 20:07, Mar 28, 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) = 0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 120.52 (Adapted Stein & Brown method) Melting Pt (deg C): -0.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 15.3 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.167e+005 log Kow used: 0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.53E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.209E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.08 (KowWin est) Log Kaw used: -2.204 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.284 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8680 Biowin2 (Non-Linear Model) : 0.9578 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0687 (weeks ) Biowin4 (Primary Survey Model) : 3.7899 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5888 Biowin6 (MITI Non-Linear Model): 0.6367 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8128 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.91E+003 Pa (14.3 mm Hg) Log Koa (Koawin est ): 2.284 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57E-009 Octanol/air (Koa) model: 4.72E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.68E-008 Mackay model : 1.26E-007 Octanol/air (Koa) model: 3.78E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.9241 E-12 cm3/molecule-sec Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.669 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.14E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 50.63 Log Koc: 1.704 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 = 0.500 (BCF = 3.162) log Kow used: 0.08 (estimated) Volatilization from Water: Henry LC: 0.000153 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.058 hours Half-Life from Model Lake : 114.5 hours (4.77 days) Removal In Wastewater Treatment: Total removal: 8.79 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.65 percent Total to Air: 7.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.47 3.34 1000 Water 54 360 1000 Soil 44.5 720 1000 Sediment 0.0998 3.24e+003 0 Persistence Time: 192 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight