Try beta.chemspider
3-Nitronaphtho[2,1,8-mna]acridine 6-oxide
c1ccc2c(c1)c3ccc4ccc(c5c4c3c([n+]2[O-])cc5)[N+](=O)[O-]
InChI=1S/C19H10N2O3/c22-20-15-4-2-1-3-12(15)13-7-5-11-6-9-16(21(23)24)14-8-10-17(20)19(13)18(11)14/h1-10H
VUABPVGKRFXVOR-UHFFFAOYSA-N
CSID:112333, http://www.chemspider.com/Chemical-Structure.112333.html (accessed 05:15, May 8, 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) = 4.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 537.64 (Adapted Stein & Brown method) Melting Pt (deg C): 230.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.03E-012 (Modified Grain method) Subcooled liquid VP: 3.26E-010 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): 0.05303 log Kow used: 4.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.024649 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.588E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3649 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5334 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5822 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3313 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3323 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): 4.35E-008 Pa (3.26E-010 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 69 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.3894 E-12 cm3/molecule-sec Half-Life = 1.674 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.088 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.563E+006 Log Koc: 6.194 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 = 2.703 (BCF = 505.2) log Kow used: 4.42 (estimated) Volatilization from Water: Henry LC: 1.59E-011 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 6.546E+007 hours (2.728E+006 days) Half-Life from Model Lake : 7.141E+008 hours (2.976E+007 days) Removal In Wastewater Treatment: Total removal: 51.76 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.27 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 0.0477 40.2 1000 Water 4.07 4.32e+003 1000 Soil 90.8 8.64e+003 1000 Sediment 5.1 3.89e+004 0 Persistence Time: 7.41e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight