3-Chlorophenyl decyl phthalate
CCCCCCCCCCOC(=O)c1ccccc1C(=O)Oc2cccc(c2)Cl
InChI=1S/C24H29ClO4/c1-2-3-4-5-6-7-8-11-17-28-23(26)21-15-9-10-16-22(21)24(27)29-20-14-12-13-19(25)18-20/h9-10,12-16,18H,2-8,11,17H2,1H3
NIKYIVSCFJZVFK-UHFFFAOYSA-N
CSID:4928960, http://www.chemspider.com/Chemical-Structure.4928960.html (accessed 11:31, Mar 29, 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) = 7.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 464.16 (Adapted Stein & Brown method) Melting Pt (deg C): 153.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.07E-008 (Modified Grain method) Subcooled liquid VP: 2.18E-007 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): 0.0003945 log Kow used: 7.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00060462 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.85E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.488E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.94 (KowWin est) Log Kaw used: -4.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.434 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8234 Biowin2 (Non-Linear Model) : 0.9938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6499 (weeks-months) Biowin4 (Primary Survey Model) : 3.8078 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6763 Biowin6 (MITI Non-Linear Model): 0.5020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1493 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): 2.91E-005 Pa (2.18E-007 mm Hg) Log Koa (Koawin est ): 12.434 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.103 Octanol/air (Koa) model: 0.667 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.788 Mackay model : 0.892 Octanol/air (Koa) model: 0.982 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.8619 E-12 cm3/molecule-sec Half-Life = 0.720 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.636 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.84 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.235E+005 Log Koc: 5.510 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.198E+000 L/mol-sec Kb Half-Life at pH 8: 6.697 days Kb Half-Life at pH 7: 66.969 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.016 (BCF = 103.8) log Kow used: 7.94 (estimated) Volatilization from Water: Henry LC: 7.85E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1525 hours (63.54 days) Half-Life from Model Lake : 1.681E+004 hours (700.3 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.129 17.3 1000 Water 1.8 900 1000 Soil 32.9 1.8e+003 1000 Sediment 65.2 8.1e+003 0 Persistence Time: 3.43e+003 hr
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