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1-(3,6-Dichloro-9H-carbazol-9-yl)-3-(isopropylamino)-2-propanol
CC(C)NCC(Cn1c2ccc(cc2c3c1ccc(c3)Cl)Cl)O
InChI=1S/C18H20Cl2N2O/c1-11(2)21-9-14(23)10-22-17-5-3-12(19)7-15(17)16-8-13(20)4-6-18(16)22/h3-8,11,14,21,23H,9-10H2,1-2H3
KOZMMZGWHLFBOI-UHFFFAOYSA-N
CSID:2131186, http://www.chemspider.com/Chemical-Structure.2131186.html (accessed 05:17, May 6, 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) = 4.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.41 (Adapted Stein & Brown method) Melting Pt (deg C): 200.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7E-011 (Modified Grain method) Subcooled liquid VP: 1.2E-009 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): 0.8171 log Kow used: 4.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27.259 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.60E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.616E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.41 (KowWin est) Log Kaw used: -11.973 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.383 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5280 Biowin2 (Non-Linear Model) : 0.0223 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1941 (months ) Biowin4 (Primary Survey Model) : 3.1830 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0785 Biowin6 (MITI Non-Linear Model): 0.0027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6699 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): 1.6E-007 Pa (1.2E-009 mm Hg) Log Koa (Koawin est ): 16.383 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 18.8 Octanol/air (Koa) model: 5.93E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.8376 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.778E+004 Log Koc: 4.679 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 = 2.049 (BCF = 112) log Kow used: 4.41 (estimated) Volatilization from Water: Henry LC: 2.6E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.221E+010 hours (1.759E+009 days) Half-Life from Model Lake : 4.604E+011 hours (1.918E+010 days) Removal In Wastewater Treatment: Total removal: 51.22 percent Total biodegradation: 0.49 percent Total sludge adsorption: 50.73 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 0.000114 2.3 1000 Water 7.87 1.44e+003 1000 Soil 85.8 2.88e+003 1000 Sediment 6.3 1.3e+004 0 Persistence Time: 3.05e+003 hr
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