5,8-Dimethyl-9H-carbazol-3-ol
Cc1ccc(c2c1c3cc(ccc3[nH]2)O)C
InChI=1S/C14H13NO/c1-8-3-4-9(2)14-13(8)11-7-10(16)5-6-12(11)15-14/h3-7,15-16H,1-2H3
UERYKPVBQQUNJO-UHFFFAOYSA-N
CSID:168618, http://www.chemspider.com/Chemical-Structure.168618.html (accessed 11:12, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.22 (Adapted Stein & Brown method) Melting Pt (deg C): 153.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.64E-008 (Modified Grain method) Subcooled liquid VP: 1.95E-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): 5.875 log Kow used: 3.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45.374 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-011 atm-m3/mole Group Method: 7.22E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.561E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.85 (KowWin est) Log Kaw used: -9.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.197 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8721 Biowin2 (Non-Linear Model) : 0.8881 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6390 (weeks-months) Biowin4 (Primary Survey Model) : 3.4456 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2719 Biowin6 (MITI Non-Linear Model): 0.1336 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3039 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): 0.00026 Pa (1.95E-006 mm Hg) Log Koa (Koawin est ): 13.197 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0115 Octanol/air (Koa) model: 3.86 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.294 Mackay model : 0.48 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.4120 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.640 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.387 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.999E+004 Log Koc: 4.699 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 = 2.261 (BCF = 182.3) log Kow used: 3.85 (estimated) Volatilization from Water: Henry LC: 7.22E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.179E+007 hours (4.911E+005 days) Half-Life from Model Lake : 1.286E+008 hours (5.358E+006 days) Removal In Wastewater Treatment: Total removal: 23.72 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.45 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 0.00078 1.28 1000 Water 11.2 900 1000 Soil 86.9 1.8e+003 1000 Sediment 1.86 8.1e+003 0 Persistence Time: 1.85e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight