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N-Phenyl-2-pyridinecarboxamide
C1=CC=C(C=C1)NC(=O)C2=CC=CC=N2
InChI=1S/C12H10N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
GVBHRBMWXDCRHZ-UHFFFAOYSA-N
CSID:5383604, http://www.chemspider.com/Chemical-Structure.5383604.html (accessed 22:58, Jun 3, 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) = 2.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.93 (Adapted Stein & Brown method) Melting Pt (deg C): 146.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-006 (Modified Grain method) Subcooled liquid VP: 2.04E-005 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): 646.4 log Kow used: 2.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7071.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.802E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (KowWin est) Log Kaw used: -10.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.334 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8368 Biowin2 (Non-Linear Model) : 0.9546 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5147 (weeks-months) Biowin4 (Primary Survey Model) : 3.7533 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2895 Biowin6 (MITI Non-Linear Model): 0.1558 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2686 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): 0.00272 Pa (2.04E-005 mm Hg) Log Koa (Koawin est ): 12.334 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0011 Octanol/air (Koa) model: 0.53 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0383 Mackay model : 0.0811 Octanol/air (Koa) model: 0.977 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.7538 E-12 cm3/molecule-sec Half-Life = 0.839 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.064 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0597 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 363.1 Log Koc: 2.560 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 = 0.959 (BCF = 9.092) log Kow used: 2.15 (estimated) Volatilization from Water: Henry LC: 1.6E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.152E+008 hours (2.147E+007 days) Half-Life from Model Lake : 5.62E+009 hours (2.342E+008 days) Removal In Wastewater Treatment: Total removal: 2.41 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.31 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 1.53e-005 20.1 1000 Water 20.5 900 1000 Soil 79.4 1.8e+003 1000 Sediment 0.0957 8.1e+003 0 Persistence Time: 1.5e+003 hr
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