Try beta.chemspider
N-2-Naphthyl-N-phenylformamide
c1ccc(cc1)N(C=O)c2ccc3ccccc3c2
InChI=1S/C17H13NO/c19-13-18(16-8-2-1-3-9-16)17-11-10-14-6-4-5-7-15(14)12-17/h1-13H
PVSDKMXJGMUWFA-UHFFFAOYSA-N
CSID:704220, http://www.chemspider.com/Chemical-Structure.704220.html (accessed 02:37, May 6, 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) = 3.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.95 (Adapted Stein & Brown method) Melting Pt (deg C): 153.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.32E-007 (Modified Grain method) Subcooled liquid VP: 4.76E-006 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): 57.02 log Kow used: 3.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 34.889 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.25E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.324E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.08 (KowWin est) Log Kaw used: -6.760 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.840 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9681 Biowin2 (Non-Linear Model) : 0.9818 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6205 (weeks-months) Biowin4 (Primary Survey Model) : 3.7013 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2017 Biowin6 (MITI Non-Linear Model): 0.0923 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6588 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): 0.000635 Pa (4.76E-006 mm Hg) Log Koa (Koawin est ): 9.840 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00473 Octanol/air (Koa) model: 0.0017 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.146 Mackay model : 0.274 Octanol/air (Koa) model: 0.12 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 149.9644 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.856 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.21 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4312 Log Koc: 3.635 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 = 1.674 (BCF = 47.2) log Kow used: 3.08 (estimated) Volatilization from Water: Henry LC: 4.25E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.166E+005 hours (9027 days) Half-Life from Model Lake : 2.363E+006 hours (9.848E+004 days) Removal In Wastewater Treatment: Total removal: 6.43 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.30 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 0.0258 1.71 1000 Water 14.8 900 1000 Soil 84.8 1.8e+003 1000 Sediment 0.403 8.1e+003 0 Persistence Time: 1.44e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight