2,3,4,9-Tetrahydro-1H-carbazole
c1ccc2c(c1)c3c([nH]2)CCCC3
InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
XKLNOVWDVMWTOB-UHFFFAOYSA-N
CSID:13075, http://www.chemspider.com/Chemical-Structure.13075.html (accessed 18:52, Apr 18, 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) = 4.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.29 (Adapted Stein & Brown method) Melting Pt (deg C): 92.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.11E-005 (Modified Grain method) MP (exp database): 120 deg C BP (exp database): 327.5 deg C Subcooled liquid VP: 0.000448 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): 22.42 log Kow used: 4.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.231 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.38E-007 atm-m3/mole Group Method: 8.10E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.135E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.02 (KowWin est) Log Kaw used: -4.465 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.485 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7754 Biowin2 (Non-Linear Model) : 0.8496 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6710 (weeks-months) Biowin4 (Primary Survey Model) : 3.4636 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1636 Biowin6 (MITI Non-Linear Model): 0.1527 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0292 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): 0.0597 Pa (0.000448 mm Hg) Log Koa (Koawin est ): 8.485 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.02E-005 Octanol/air (Koa) model: 7.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00181 Mackay model : 0.004 Octanol/air (Koa) model: 0.00596 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.1237 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.626 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00291 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.129E+004 Log Koc: 4.053 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 = 2.395 (BCF = 248.2) log Kow used: 4.02 (estimated) Volatilization from Water: Henry LC: 8.1E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 947.2 hours (39.47 days) Half-Life from Model Lake : 1.044E+004 hours (435.1 days) Removal In Wastewater Treatment: Total removal: 31.01 percent Total biodegradation: 0.33 percent Total sludge adsorption: 30.65 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0539 1.25 1000 Water 17 900 1000 Soil 78.8 1.8e+003 1000 Sediment 4.2 8.1e+003 0 Persistence Time: 1.1e+003 hr
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