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5,6-dihydroimidazo[1,2-a]pyridine
C1CN2C=CN=C2C=C1
InChI=1S/C7H8N2/c1-2-5-9-6-4-8-7(9)3-1/h1,3-4,6H,2,5H2
GPJOBHUPSQXNRQ-UHFFFAOYSA-N
CSID:8594592, http://www.chemspider.com/Chemical-Structure.8594592.html (accessed 11:22, 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) = 1.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.47 (Adapted Stein & Brown method) Melting Pt (deg C): 55.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00732 (Modified Grain method) Subcooled liquid VP: 0.014 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): 2864 log Kow used: 1.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6017.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.041E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.81 (KowWin est) Log Kaw used: -2.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.745 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7863 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9336 (weeks ) Biowin4 (Primary Survey Model) : 3.6744 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4229 Biowin6 (MITI Non-Linear Model): 0.4569 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2582 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): 1.87 Pa (0.014 mm Hg) Log Koa (Koawin est ): 4.745 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61E-006 Octanol/air (Koa) model: 1.36E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.8E-005 Mackay model : 0.000129 Octanol/air (Koa) model: 1.09E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.5433 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.387 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 9.33E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 108 Log Koc: 2.033 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 = 0.692 (BCF = 4.922) log Kow used: 1.81 (estimated) Volatilization from Water: Henry LC: 2.84E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 23.72 hours Half-Life from Model Lake : 350.6 hours (14.61 days) Removal In Wastewater Treatment: Total removal: 3.61 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.98 percent Total to Air: 1.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.186 1.17 1000 Water 34.4 360 1000 Soil 65.4 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 363 hr
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