2-(1-Piperidinyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
c1ccc2c(c1)c3c(n2C(=O)CN4CCCCC4)CCCC3
InChI=1S/C19H24N2O/c22-19(14-20-12-6-1-7-13-20)21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h2,4,8,10H,1,3,5-7,9,11-14H2
NWQWKOGZSRBPRH-UHFFFAOYSA-N
CSID:653013, http://www.chemspider.com/Chemical-Structure.653013.html (accessed 20:52, Apr 19, 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) = 4.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.88 (Adapted Stein & Brown method) Melting Pt (deg C): 173.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.29E-008 (Modified Grain method) Subcooled liquid VP: 1.83E-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): 29.8 log Kow used: 4.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 156.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.924E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.27 (KowWin est) Log Kaw used: -6.803 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.073 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5105 Biowin2 (Non-Linear Model) : 0.0937 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1396 (months ) Biowin4 (Primary Survey Model) : 2.9950 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1455 Biowin6 (MITI Non-Linear Model): 0.0104 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6782 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): 0.000244 Pa (1.83E-006 mm Hg) Log Koa (Koawin est ): 11.073 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0123 Octanol/air (Koa) model: 0.029 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.308 Mackay model : 0.496 Octanol/air (Koa) model: 0.699 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 303.2456 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.396 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.402 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.552E+004 Log Koc: 4.816 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 = 2.585 (BCF = 385) log Kow used: 4.27 (estimated) Volatilization from Water: Henry LC: 3.85E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.618E+005 hours (1.091E+004 days) Half-Life from Model Lake : 2.856E+006 hours (1.19E+005 days) Removal In Wastewater Treatment: Total removal: 43.65 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.22 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 0.0125 0.846 1000 Water 10.6 1.44e+003 1000 Soil 83.3 2.88e+003 1000 Sediment 6.09 1.3e+004 0 Persistence Time: 2.15e+003 hr
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