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N-[2-(5,8-Dimethyl-9H-carbazol-4-yl)ethyl]-N-propyl-1-propanamine
CCCN(CCC)CCc1cccc2c1c3c(ccc(c3[nH]2)C)C
InChI=1S/C22H30N2/c1-5-13-24(14-6-2)15-12-18-8-7-9-19-21(18)20-16(3)10-11-17(4)22(20)23-19/h7-11,23H,5-6,12-15H2,1-4H3
BQOAHNKIGRJMRT-UHFFFAOYSA-N
CSID:119398, http://www.chemspider.com/Chemical-Structure.119398.html (accessed 10:05, Apr 24, 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) = 6.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 445.55 (Adapted Stein & Brown method) Melting Pt (deg C): 186.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-008 (Modified Grain method) Subcooled liquid VP: 6.34E-007 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): 0.02588 log Kow used: 6.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.02849 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.132E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.37 (KowWin est) Log Kaw used: -7.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.754 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3190 Biowin2 (Non-Linear Model) : 0.0185 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8722 (months ) Biowin4 (Primary Survey Model) : 2.7805 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1736 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8883 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): 8.45E-005 Pa (6.34E-007 mm Hg) Log Koa (Koawin est ): 13.754 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0355 Octanol/air (Koa) model: 13.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.562 Mackay model : 0.74 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 302.1051 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.491 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.651 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.667E+005 Log Koc: 5.669 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 = 4.207 (BCF = 1.609e+004) log Kow used: 6.37 (estimated) Volatilization from Water: Henry LC: 1.01E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.041E+006 hours (4.338E+004 days) Half-Life from Model Lake : 1.136E+007 hours (4.732E+005 days) Removal In Wastewater Treatment: Total removal: 93.23 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.45 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 0.00387 0.85 1000 Water 1.9 1.44e+003 1000 Soil 40.8 2.88e+003 1000 Sediment 57.3 1.3e+004 0 Persistence Time: 4.99e+003 hr
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