Try beta.chemspider
4-Methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CN1CCCC2C1CCc3c2cccc3
InChI=1S/C14H19N/c1-15-10-4-7-13-12-6-3-2-5-11(12)8-9-14(13)15/h2-3,5-6,13-14H,4,7-10H2,1H3
CAIZFPWDMVYDRN-UHFFFAOYSA-N
CSID:285853, http://www.chemspider.com/Chemical-Structure.285853.html (accessed 11:49, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.82 (Adapted Stein & Brown method) Melting Pt (deg C): 75.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00099 (Modified Grain method) Subcooled liquid VP: 0.00301 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): 639.2 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 115.23 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.103E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -4.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.416 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5558 Biowin2 (Non-Linear Model) : 0.2852 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3498 (weeks-months) Biowin4 (Primary Survey Model) : 3.1322 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0876 Biowin6 (MITI Non-Linear Model): 0.0647 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3438 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): 0.401 Pa (0.00301 mm Hg) Log Koa (Koawin est ): 7.416 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.48E-006 Octanol/air (Koa) model: 6.4E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00027 Mackay model : 0.000598 Octanol/air (Koa) model: 0.000512 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.3980 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.075 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000434 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.46E+004 Log Koc: 4.164 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 = 1.858 (BCF = 72.05) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 1.96E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 425.3 hours (17.72 days) Half-Life from Model Lake : 4758 hours (198.3 days) Removal In Wastewater Treatment: Total removal: 9.64 percent Total biodegradation: 0.15 percent Total sludge adsorption: 9.38 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0978 2.15 1000 Water 18.5 900 1000 Soil 80.6 1.8e+003 1000 Sediment 0.875 8.1e+003 0 Persistence Time: 1.04e+003 hr
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