Try beta.chemspider
4-Chloroindoline
c1cc2c(c(c1)Cl)CCN2
InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
BBHMZHDPVNXFMI-UHFFFAOYSA-N
CSID:2284270, http://www.chemspider.com/Chemical-Structure.2284270.html (accessed 17:08, May 16, 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) = 2.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 233.13 (Adapted Stein & Brown method) Melting Pt (deg C): 45.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0407 (Modified Grain method) Subcooled liquid VP: 0.0629 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): 1.051e+004 log Kow used: 2.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13657 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.16E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.827E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.17 (KowWin est) Log Kaw used: -3.324 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.494 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7169 Biowin2 (Non-Linear Model) : 0.5211 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7110 (weeks-months) Biowin4 (Primary Survey Model) : 3.5688 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3475 Biowin6 (MITI Non-Linear Model): 0.0933 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5381 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): 8.39 Pa (0.0629 mm Hg) Log Koa (Koawin est ): 5.494 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.58E-007 Octanol/air (Koa) model: 7.66E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.29E-005 Mackay model : 2.86E-005 Octanol/air (Koa) model: 6.12E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 137.2670 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.935 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.927895 E-17 cm3/molecule-sec Half-Life = 1.235 Days (at 7E11 mol/cm3) Half-Life = 29.641 Hrs Fraction sorbed to airborne particulates (phi): 2.08E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 563.9 Log Koc: 2.751 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 = 0.968 (BCF = 9.299) log Kow used: 2.17 (estimated) Volatilization from Water: Henry LC: 1.16E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 63.82 hours (2.659 days) Half-Life from Model Lake : 800.1 hours (33.34 days) Removal In Wastewater Treatment: Total removal: 3.06 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.33 percent Total to Air: 0.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.121 1.76 1000 Water 27.7 900 1000 Soil 72 1.8e+003 1000 Sediment 0.133 8.1e+003 0 Persistence Time: 795 hr
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