Try beta.chemspider
4,5-Diphenyl-1H-imidazole
c1ccc(cc1)c2c(n[c][nH]2)c3ccccc3
InChI=1S/C15H11N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-10H,(H,16,17)
QYSJOUCWNVCIHX-UHFFFAOYSA-N
CSID:13560936, http://www.chemspider.com/Chemical-Structure.13560936.html (accessed 23:20, May 1, 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) = 3.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.23 (Adapted Stein & Brown method) Melting Pt (deg C): 177.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.54E-009 (Modified Grain method) Subcooled liquid VP: 2.9E-007 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): 29.68 log Kow used: 3.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.1782 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.363E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.59 (KowWin est) Log Kaw used: -6.158 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.748 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8989 Biowin2 (Non-Linear Model) : 0.9701 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7564 (weeks ) Biowin4 (Primary Survey Model) : 3.5397 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1472 Biowin6 (MITI Non-Linear Model): 0.0750 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2227 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): 3.87E-005 Pa (2.9E-007 mm Hg) Log Koa (Koawin est ): 9.748 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0776 Octanol/air (Koa) model: 0.00137 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.737 Mackay model : 0.861 Octanol/air (Koa) model: 0.099 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.1478 E-12 cm3/molecule-sec Half-Life = 0.425 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.104 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.799 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.416E+004 Log Koc: 4.151 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 = 2.062 (BCF = 115.3) log Kow used: 3.59 (estimated) Volatilization from Water: Henry LC: 1.7E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.112E+004 hours (2130 days) Half-Life from Model Lake : 5.578E+005 hours (2.324E+004 days) Removal In Wastewater Treatment: Total removal: 15.25 percent Total biodegradation: 0.20 percent Total sludge adsorption: 15.04 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 0.418 10.2 1000 Water 19.9 360 1000 Soil 78.6 720 1000 Sediment 1.06 3.24e+003 0 Persistence Time: 600 hr
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