4-(9H-Carbazol-9-yl)butanoic acid
c1ccc2c(c1)c3ccccc3n2CCCC(=O)O
InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
HQAKVYGASUTQHH-UHFFFAOYSA-N
CSID:395467, http://www.chemspider.com/Chemical-Structure.395467.html (accessed 21:23, Dec 3, 2023)
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) = 4.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.75 (Adapted Stein & Brown method) Melting Pt (deg C): 172.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.73E-008 (Modified Grain method) Subcooled liquid VP: 2.9E-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): 1.447 log Kow used: 4.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.876 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.84E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.011E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.08 (KowWin est) Log Kaw used: -8.395 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.475 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4944 Biowin2 (Non-Linear Model) : 0.1027 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7492 (weeks-months) Biowin4 (Primary Survey Model) : 3.5799 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2689 Biowin6 (MITI Non-Linear Model): 0.0960 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7375 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): 0.000387 Pa (2.9E-006 mm Hg) Log Koa (Koawin est ): 12.475 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00776 Octanol/air (Koa) model: 0.733 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.219 Mackay model : 0.383 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 213.4787 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.301 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 795.3 Log Koc: 2.901 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 = 0.500 (BCF = 3.162) log Kow used: 4.08 (estimated) Volatilization from Water: Henry LC: 9.84E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.47E+006 hours (3.946E+005 days) Half-Life from Model Lake : 1.033E+008 hours (4.304E+006 days) Removal In Wastewater Treatment: Total removal: 33.85 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.50 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 0.000944 1.2 1000 Water 10.9 900 1000 Soil 85.9 1.8e+003 1000 Sediment 3.11 8.1e+003 0 Persistence Time: 1.87e+003 hr
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