Try beta.chemspider
(2-Decyl-4-methylphenoxy)acetic acid
CCCCCCCCCCc1cc(ccc1OCC(=O)O)C
InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-17-14-16(2)12-13-18(17)22-15-19(20)21/h12-14H,3-11,15H2,1-2H3,(H,20,21)
CYKIGZYCZRFIGE-UHFFFAOYSA-N
CSID:2810326, http://www.chemspider.com/Chemical-Structure.2810326.html (accessed 20:15, Apr 26, 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) = 6.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.22 (Adapted Stein & Brown method) Melting Pt (deg C): 158.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.15E-007 (Modified Grain method) Subcooled liquid VP: 2.67E-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): 0.04006 log Kow used: 6.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.029795 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.62E-007 atm-m3/mole Group Method: 2.13E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.158E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.84 (KowWin est) Log Kaw used: -4.970 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.810 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0240 Biowin2 (Non-Linear Model) : 0.9895 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9771 (weeks ) Biowin4 (Primary Survey Model) : 4.0003 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6324 Biowin6 (MITI Non-Linear Model): 0.6374 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2576 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000356 Pa (2.67E-006 mm Hg) Log Koa (Koawin est ): 11.810 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00843 Octanol/air (Koa) model: 0.158 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.233 Mackay model : 0.403 Octanol/air (Koa) model: 0.927 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.4012 E-12 cm3/molecule-sec Half-Life = 0.217 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.598 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.318 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7610 Log Koc: 3.881 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 = 1.750 (BCF = 56.23) log Kow used: 6.84 (estimated) Volatilization from Water: Henry LC: 2.62E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3914 hours (163.1 days) Half-Life from Model Lake : 4.284E+004 hours (1785 days) Removal In Wastewater Treatment: Total removal: 93.76 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.98 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 0.172 5.2 1000 Water 4.31 360 1000 Soil 31 720 1000 Sediment 64.6 3.24e+003 0 Persistence Time: 1.22e+003 hr
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