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1H-Benzimidazol-2-yl(phenyl)methanone
c1ccc(cc1)C(=O)c2[nH]c3ccccc3n2
InChI=1S/C14H10N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16)
RZMKWQVADPIKCJ-UHFFFAOYSA-N
CSID:268339, http://www.chemspider.com/Chemical-Structure.268339.html (accessed 01:02, Jul 5, 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) = 2.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.08 (Adapted Stein & Brown method) Melting Pt (deg C): 173.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.25E-008 (Modified Grain method) Subcooled liquid VP: 4.37E-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): 305.4 log Kow used: 2.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 340.34 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.32E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.197E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.39 (KowWin est) Log Kaw used: -8.268 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.658 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7767 Biowin2 (Non-Linear Model) : 0.7683 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7076 (weeks-months) Biowin4 (Primary Survey Model) : 3.5098 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2427 Biowin6 (MITI Non-Linear Model): 0.1218 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1965 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): 5.83E-005 Pa (4.37E-007 mm Hg) Log Koa (Koawin est ): 10.658 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0515 Octanol/air (Koa) model: 0.0112 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.65 Mackay model : 0.805 Octanol/air (Koa) model: 0.472 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.5947 E-12 cm3/molecule-sec Half-Life = 0.309 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.710 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.727 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 703.2 Log Koc: 2.847 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 = 0.299 (BCF = 1.992) log Kow used: 2.39 (estimated) Volatilization from Water: Henry LC: 1.32E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.612E+006 hours (2.755E+005 days) Half-Life from Model Lake : 7.214E+007 hours (3.006E+006 days) Removal In Wastewater Treatment: Total removal: 2.82 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.72 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 0.00378 7.42 1000 Water 17.3 900 1000 Soil 82.6 1.8e+003 1000 Sediment 0.117 8.1e+003 0 Persistence Time: 1.59e+003 hr
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