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2-(Dimethylamino)-1-(2-iodophenyl)ethanol
CN(C)CC(c1ccccc1I)O
InChI=1S/C10H14INO/c1-12(2)7-10(13)8-5-3-4-6-9(8)11/h3-6,10,13H,7H2,1-2H3
VACUCMZTAGLMKC-UHFFFAOYSA-N
CSID:3539425, http://www.chemspider.com/Chemical-Structure.3539425.html (accessed 08:23, Apr 24, 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) = 1.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 324.56 (Adapted Stein & Brown method) Melting Pt (deg C): 90.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.5E-006 (Modified Grain method) Subcooled liquid VP: 2.76E-005 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): 5557 log Kow used: 1.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13240 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.32E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.481E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.64 (KowWin est) Log Kaw used: -8.867 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.507 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1962 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4160 (weeks-months) Biowin4 (Primary Survey Model) : 3.1421 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3883 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5878 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): 0.00368 Pa (2.76E-005 mm Hg) Log Koa (Koawin est ): 10.507 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000815 Octanol/air (Koa) model: 0.00789 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0286 Mackay model : 0.0612 Octanol/air (Koa) model: 0.387 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.2524 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.438 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0449 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 95.47 Log Koc: 1.980 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 = -0.084 (BCF = 0.8236) log Kow used: 1.64 (estimated) Volatilization from Water: Henry LC: 3.32E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.009E+007 hours (1.254E+006 days) Half-Life from Model Lake : 3.283E+008 hours (1.368E+007 days) Removal In Wastewater Treatment: Total removal: 2.02 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 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 0.000374 2.88 1000 Water 30.1 900 1000 Soil 69.8 1.8e+003 1000 Sediment 0.0832 8.1e+003 0 Persistence Time: 1.25e+003 hr
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