1-(9H-Carbazol-9-yl)-3-(diethylamino)-2-propanol
CCN(CC)CC(Cn1c2ccccc2c3c1cccc3)O
InChI=1S/C19H24N2O/c1-3-20(4-2)13-15(22)14-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15,22H,3-4,13-14H2,1-2H3
QBEGUTHCSOWVOB-UHFFFAOYSA-N
CSID:50728, http://www.chemspider.com/Chemical-Structure.50728.html (accessed 12:38, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.71 (Adapted Stein & Brown method) Melting Pt (deg C): 166.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.06E-009 (Modified Grain method) Subcooled liquid VP: 3.01E-008 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): 11.06 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 158.85 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.23E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.738E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -10.762 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.232 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3546 Biowin2 (Non-Linear Model) : 0.0107 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1945 (months ) Biowin4 (Primary Survey Model) : 2.9735 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0353 Biowin6 (MITI Non-Linear Model): 0.0165 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1653 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): 4.01E-006 Pa (3.01E-008 mm Hg) Log Koa (Koawin est ): 14.232 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.748 Octanol/air (Koa) model: 41.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.964 Mackay model : 0.984 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 315.4876 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.410 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.974 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3478 Log Koc: 3.541 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 = 1.323 (BCF = 21.01) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 4.23E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.383E+009 hours (9.929E+007 days) Half-Life from Model Lake : 2.6E+010 hours (1.083E+009 days) Removal In Wastewater Treatment: Total removal: 12.37 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.19 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 7.17e-005 0.814 1000 Water 9.27 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.74 1.3e+004 0 Persistence Time: 2.82e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight