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9-Ethyl-3-[(4-methyl-1-piperidinyl)methyl]-9H-carbazole
CCn1c2ccccc2c3c1ccc(c3)CN4CCC(CC4)C
InChI=1S/C21H26N2/c1-3-23-20-7-5-4-6-18(20)19-14-17(8-9-21(19)23)15-22-12-10-16(2)11-13-22/h4-9,14,16H,3,10-13,15H2,1-2H3
NONKQZBBCPUNTD-UHFFFAOYSA-N
CSID:1549403, http://www.chemspider.com/Chemical-Structure.1549403.html (accessed 09:22, Jun 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) = 5.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.66 (Adapted Stein & Brown method) Melting Pt (deg C): 172.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.2E-008 (Modified Grain method) Subcooled liquid VP: 2.08E-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): 0.08782 log Kow used: 5.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.60182 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.47E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.847E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.86 (KowWin est) Log Kaw used: -6.515 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1911 Biowin2 (Non-Linear Model) : 0.0031 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0123 (months ) Biowin4 (Primary Survey Model) : 2.8296 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2258 Biowin6 (MITI Non-Linear Model): 0.0025 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5627 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): 0.000277 Pa (2.08E-006 mm Hg) Log Koa (Koawin est ): 12.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0108 Octanol/air (Koa) model: 0.582 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.281 Mackay model : 0.464 Octanol/air (Koa) model: 0.979 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 310.8361 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.775 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.372 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.167E+005 Log Koc: 5.336 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 = 3.813 (BCF = 6508) log Kow used: 5.86 (estimated) Volatilization from Water: Henry LC: 7.47E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.372E+005 hours (5717 days) Half-Life from Model Lake : 1.497E+006 hours (6.237E+004 days) Removal In Wastewater Treatment: Total removal: 91.45 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.69 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 0.00806 0.826 1000 Water 3.34 1.44e+003 1000 Soil 43 2.88e+003 1000 Sediment 53.6 1.3e+004 0 Persistence Time: 3.83e+003 hr
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