1,4,4,6,7-Pentamethyl-2-phenyl-1,4-dihydroquinoline
Cc1cc2c(cc1C)N(C(=CC2(C)C)c3ccccc3)C
InChI=1S/C20H23N/c1-14-11-17-18(12-15(14)2)21(5)19(13-20(17,3)4)16-9-7-6-8-10-16/h6-13H,1-5H3
UHWKSPKLOILNKF-UHFFFAOYSA-N
CSID:199731, http://www.chemspider.com/Chemical-Structure.199731.html (accessed 20:48, Apr 17, 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) = 6.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.47 (Adapted Stein & Brown method) Melting Pt (deg C): 135.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.68E-006 (Modified Grain method) Subcooled liquid VP: 3.44E-005 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): 0.03746 log Kow used: 6.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10081 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.28E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.611E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.61 (KowWin est) Log Kaw used: -3.470 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.080 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4637 Biowin2 (Non-Linear Model) : 0.1275 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9915 (months ) Biowin4 (Primary Survey Model) : 2.8739 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0175 Biowin6 (MITI Non-Linear Model): 0.0124 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0786 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): 0.00459 Pa (3.44E-005 mm Hg) Log Koa (Koawin est ): 10.080 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000654 Octanol/air (Koa) model: 0.00295 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0231 Mackay model : 0.0497 Octanol/air (Koa) model: 0.191 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.5140 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.240 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.0364 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.267E+004 Log Koc: 4.861 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 = 4.391 (BCF = 2.459e+004) log Kow used: 6.61 (estimated) Volatilization from Water: Henry LC: 8.28E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 119.5 hours (4.978 days) Half-Life from Model Lake : 1443 hours (60.12 days) Removal In Wastewater Treatment: Total removal: 93.57 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.79 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 0.0223 2.08 1000 Water 1.84 1.44e+003 1000 Soil 31.8 2.88e+003 1000 Sediment 66.4 1.3e+004 0 Persistence Time: 4.37e+003 hr
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