7,8-Dimethylbenzo[c]acridine
Cc1cccc2c1c(c3ccc4ccccc4c3n2)C
InChI=1S/C19H15N/c1-12-6-5-9-17-18(12)13(2)15-11-10-14-7-3-4-8-16(14)19(15)20-17/h3-11H,1-2H3
UGIFIIRRDSIAQG-UHFFFAOYSA-N
CSID:69499, http://www.chemspider.com/Chemical-Structure.69499.html (accessed 14:11, Mar 29, 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) = 5.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.83 (Adapted Stein & Brown method) Melting Pt (deg C): 164.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.4E-008 (Modified Grain method) Subcooled liquid VP: 1.74E-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): 0.02818 log Kow used: 5.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.39839 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.99E-009 atm-m3/mole Group Method: 3.15E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.690E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.59 (KowWin est) Log Kaw used: -6.486 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.076 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0771 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6814 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6372 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1034 Biowin6 (MITI Non-Linear Model): 0.0389 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7663 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): 0.000232 Pa (1.74E-006 mm Hg) Log Koa (Koawin est ): 12.076 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0129 Octanol/air (Koa) model: 0.292 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.318 Mackay model : 0.508 Octanol/air (Koa) model: 0.959 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.8786 E-12 cm3/molecule-sec Half-Life = 0.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.428 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.413 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.454E+005 Log Koc: 5.810 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 = 3.604 (BCF = 4015) log Kow used: 5.59 (estimated) Volatilization from Water: Henry LC: 3.15E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.982E+004 hours (1242 days) Half-Life from Model Lake : 3.254E+005 hours (1.356E+004 days) Removal In Wastewater Treatment: Total removal: 89.31 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.56 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 0.0129 2.86 1000 Water 2.34 4.32e+003 1000 Soil 59.5 8.64e+003 1000 Sediment 38.1 3.89e+004 0 Persistence Time: 8.2e+003 hr
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