Try beta.chemspider
N-(2,5-Dimethylphenyl)-2,8-dimethyl-4-quinolinamine
Cc1ccc(c(c1)Nc2cc(nc3c2cccc3C)C)C
InChI=1S/C19H20N2/c1-12-8-9-13(2)17(10-12)21-18-11-15(4)20-19-14(3)6-5-7-16(18)19/h5-11H,1-4H3,(H,20,21)
NBBKKCVRUHUZPF-UHFFFAOYSA-N
CSID:2166848, http://www.chemspider.com/Chemical-Structure.2166848.html (accessed 23:13, Apr 25, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.07 (Adapted Stein & Brown method) Melting Pt (deg C): 163.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.34E-007 (Modified Grain method) Subcooled liquid VP: 3.57E-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): 0.2614 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2873 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.99E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.864E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -8.090 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.720 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6009 Biowin2 (Non-Linear Model) : 0.3741 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1540 (months ) Biowin4 (Primary Survey Model) : 3.0665 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0444 Biowin6 (MITI Non-Linear Model): 0.0099 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5968 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): 0.000476 Pa (3.57E-006 mm Hg) Log Koa (Koawin est ): 13.720 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0063 Octanol/air (Koa) model: 12.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.185 Mackay model : 0.335 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 400.5440 E-12 cm3/molecule-sec Half-Life = 0.027 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.227 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.26 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.534E+005 Log Koc: 5.186 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 = 3.635 (BCF = 4317) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 1.99E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.891E+006 hours (2.038E+005 days) Half-Life from Model Lake : 5.336E+007 hours (2.223E+006 days) Removal In Wastewater Treatment: Total removal: 89.71 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.96 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 0.000712 0.641 1000 Water 3.62 1.44e+003 1000 Soil 56.9 2.88e+003 1000 Sediment 39.5 1.3e+004 0 Persistence Time: 4.4e+003 hr
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