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4-[1-(4-Aminophenyl)benzo[f]quinolin-3-yl]-N,N-dimethylaniline
CN(C)c1ccc(cc1)c2cc(c3c4ccccc4ccc3n2)c5ccc(cc5)N
InChI=1S/C27H23N3/c1-30(2)22-14-9-20(10-15-22)26-17-24(19-7-12-21(28)13-8-19)27-23-6-4-3-5-18(23)11-16-25(27)29-26/h3-17H,28H2,1-2H3
VEVPTNYYSQJTFP-UHFFFAOYSA-N
CSID:3100840, http://www.chemspider.com/Chemical-Structure.3100840.html (accessed 16:01, Jul 27, 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) = 6.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 607.26 (Adapted Stein & Brown method) Melting Pt (deg C): 262.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-013 (Modified Grain method) Subcooled liquid VP: 4.77E-011 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): 0.00168 log Kow used: 6.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.027488 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.630E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.11 (KowWin est) Log Kaw used: -13.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.150 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1231 Biowin2 (Non-Linear Model) : 0.0013 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9487 (months ) Biowin4 (Primary Survey Model) : 2.8894 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5651 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1072 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): 6.36E-009 Pa (4.77E-011 mm Hg) Log Koa (Koawin est ): 19.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 472 Octanol/air (Koa) model: 3.47E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 213.6993 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.601 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 : 2.289E+007 Log Koc: 7.360 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 = 4.003 (BCF = 1.006e+004) log Kow used: 6.11 (estimated) Volatilization from Water: Henry LC: 2.23E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.182E+011 hours (2.159E+010 days) Half-Life from Model Lake : 5.653E+012 hours (2.355E+011 days) Removal In Wastewater Treatment: Total removal: 92.57 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.80 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 0.000187 1.2 1000 Water 2.16 1.44e+003 1000 Soil 48.6 2.88e+003 1000 Sediment 49.3 1.3e+004 0 Persistence Time: 5.37e+003 hr
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