Try beta.chemspider
1-(9H-Carbazol-9-yl)-3-[(2-hydroxyethyl)amino]-2-propanol
c1ccc2c(c1)c3ccccc3n2CC(CNCCO)O
InChI=1S/C17H20N2O2/c20-10-9-18-11-13(21)12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,18,20-21H,9-12H2
QZUDLONPOLSENE-UHFFFAOYSA-N
CSID:2135301, http://www.chemspider.com/Chemical-Structure.2135301.html (accessed 18:27, May 21, 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) = 1.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.37 (Adapted Stein & Brown method) Melting Pt (deg C): 192.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.33E-011 (Modified Grain method) Subcooled liquid VP: 1.32E-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): 414.3 log Kow used: 1.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16473 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.30E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.104E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.71 (KowWin est) Log Kaw used: -12.664 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.374 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8782 Biowin2 (Non-Linear Model) : 0.5233 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6604 (weeks-months) Biowin4 (Primary Survey Model) : 3.4517 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3496 Biowin6 (MITI Non-Linear Model): 0.0980 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6213 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): 1.76E-007 Pa (1.32E-009 mm Hg) Log Koa (Koawin est ): 14.374 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 17 Octanol/air (Koa) model: 58.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 309.6255 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.872 Min 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 : 82.53 Log Koc: 1.917 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 = -0.033 (BCF = 0.9264) log Kow used: 1.71 (estimated) Volatilization from Water: Henry LC: 5.3E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.863E+011 hours (7.762E+009 days) Half-Life from Model Lake : 2.032E+012 hours (8.467E+010 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 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 4.87e-005 0.829 1000 Water 28.7 900 1000 Soil 71.2 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.28e+003 hr
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