Try beta.chemspider
2-(3,4-Dichlorophenyl)-2-methylpropanoic acid
CC(C)(c1ccc(c(c1)Cl)Cl)C(=O)O
InChI=1S/C10H10Cl2O2/c1-10(2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3,(H,13,14)
HABYUGCUALNAMM-UHFFFAOYSA-N
CSID:14643022, http://www.chemspider.com/Chemical-Structure.14643022.html (accessed 16:57, May 13, 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) = 3.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 328.69 (Adapted Stein & Brown method) Melting Pt (deg C): 109.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.2E-005 (Modified Grain method) Subcooled liquid VP: 0.00042 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): 62.66 log Kow used: 3.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 94.314 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 : 4.28E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.035E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.59 (KowWin est) Log Kaw used: -5.757 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.347 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1605 Biowin2 (Non-Linear Model) : 0.0044 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4233 (weeks-months) Biowin4 (Primary Survey Model) : 3.4129 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3053 Biowin6 (MITI Non-Linear Model): 0.0624 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5614 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): 0.056 Pa (0.00042 mm Hg) Log Koa (Koawin est ): 9.347 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.36E-005 Octanol/air (Koa) model: 0.000546 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00193 Mackay model : 0.00427 Octanol/air (Koa) model: 0.0418 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7369 E-12 cm3/molecule-sec Half-Life = 6.158 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 73.898 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0031 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 178 Log Koc: 2.250 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: 3.59 (estimated) Volatilization from Water: Henry LC: 4.28E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.089E+004 hours (870.3 days) Half-Life from Model Lake : 2.28E+005 hours (9499 days) Removal In Wastewater Treatment: Total removal: 15.25 percent Total biodegradation: 0.20 percent Total sludge adsorption: 15.04 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 0.264 148 1000 Water 12.3 900 1000 Soil 86.3 1.8e+003 1000 Sediment 1.1 8.1e+003 0 Persistence Time: 1.7e+003 hr
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