N-(4-Quinolinyl)-N'-(1,2,3,4-tetrahydro-9-acridinyl)-1,8-octanediamine
c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5
InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
UNVOAAWEEGAXTN-UHFFFAOYSA-N
CSID:571218, http://www.chemspider.com/Chemical-Structure.571218.html (accessed 12:18, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 612.34 (Adapted Stein & Brown method) Melting Pt (deg C): 265.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.18E-014 (Modified Grain method) Subcooled liquid VP: 3.51E-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): 1.306e-005 log Kow used: 8.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00019349 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.66E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.730E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.12 (KowWin est) Log Kaw used: -14.964 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.084 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1739 Biowin2 (Non-Linear Model) : 0.0023 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7793 (months ) Biowin4 (Primary Survey Model) : 2.8409 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5443 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9495 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): 4.68E-009 Pa (3.51E-011 mm Hg) Log Koa (Koawin est ): 23.084 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 641 Octanol/air (Koa) model: 2.98E+010 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 = 234.9701 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.546 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 : 2.293E+009 Log Koc: 9.360 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 = 1.782 (BCF = 60.52) log Kow used: 8.12 (estimated) Volatilization from Water: Henry LC: 2.66E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.683E+013 hours (1.951E+012 days) Half-Life from Model Lake : 5.109E+014 hours (2.129E+013 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 2.7e-006 1.09 1000 Water 1.16 1.44e+003 1000 Soil 42.2 2.88e+003 1000 Sediment 56.7 1.3e+004 0 Persistence Time: 6.24e+003 hr
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