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Bis(10-hydroxydecyl) phthalate
c1ccc(c(c1)C(=O)OCCCCCCCCCCO)C(=O)OCCCCCCCCCCO
InChI=1S/C28H46O6/c29-21-15-9-5-1-3-7-11-17-23-33-27(31)25-19-13-14-20-26(25)28(32)34-24-18-12-8-4-2-6-10-16-22-30/h13-14,19-20,29-30H,1-12,15-18,21-24H2
UEEXPODGPPDFIZ-UHFFFAOYSA-N
CSID:513598, http://www.chemspider.com/Chemical-Structure.513598.html (accessed 14:47, Jun 7, 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) = 7.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 564.26 (Adapted Stein & Brown method) Melting Pt (deg C): 231.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.12E-015 (Modified Grain method) Subcooled liquid VP: 5.22E-013 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): 0.0001501 log Kow used: 7.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0023397 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.90E-011 atm-m3/mole Group Method: 3.70E-015 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.309E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.98 (KowWin est) Log Kaw used: -8.698 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.678 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1855 Biowin2 (Non-Linear Model) : 0.9986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7417 (weeks-months) Biowin4 (Primary Survey Model) : 3.8739 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.3190 Biowin6 (MITI Non-Linear Model): 0.9908 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.5834 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): 6.96E-011 Pa (5.22E-013 mm Hg) Log Koa (Koawin est ): 16.678 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.31E+004 Octanol/air (Koa) model: 1.17E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.7492 E-12 cm3/molecule-sec Half-Life = 0.308 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.694 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7041 Log Koc: 3.848 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.854E-002 L/mol-sec Kb Half-Life at pH 8: 281.030 days Kb Half-Life at pH 7: 7.694 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.317 (BCF = 20.77) log Kow used: 7.98 (estimated) Volatilization from Water: Henry LC: 4.9E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.614E+007 hours (1.089E+006 days) Half-Life from Model Lake : 2.852E+008 hours (1.188E+007 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0752 7.39 1000 Water 1.84 900 1000 Soil 31.4 1.8e+003 1000 Sediment 66.7 8.1e+003 0 Persistence Time: 3.31e+003 hr
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