2-Ethylhexyl hexyl phthalate
CCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChI=1S/C22H34O4/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
BZGXQJVPKYXMDX-UHFFFAOYSA-N
CSID:137901, http://www.chemspider.com/Chemical-Structure.137901.html (accessed 22:03, Mar 28, 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) = 7.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 400.73 (Adapted Stein & Brown method) Melting Pt (deg C): 56.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.12E-006 (Modified Grain method) Subcooled liquid VP: 7.98E-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): 0.002117 log Kow used: 7.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.008391 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.70E-006 atm-m3/mole Group Method: 4.25E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.283E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.48 (KowWin est) Log Kaw used: -3.562 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.042 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1402 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2752 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3208 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7987 Biowin6 (MITI Non-Linear Model): 0.8438 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0179 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): 0.00106 Pa (7.98E-006 mm Hg) Log Koa (Koawin est ): 11.042 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00282 Octanol/air (Koa) model: 0.027 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0924 Mackay model : 0.184 Octanol/air (Koa) model: 0.684 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4423 E-12 cm3/molecule-sec Half-Life = 0.580 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.960 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.138 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.287E+004 Log Koc: 4.723 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.262E-002 L/mol-sec Kb Half-Life at pH 8: 152.442 days Kb Half-Life at pH 7: 4.174 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.648 (BCF = 444.8) log Kow used: 7.48 (estimated) Volatilization from Water: Henry LC: 4.25E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 264.2 hours (11.01 days) Half-Life from Model Lake : 3042 hours (126.8 days) Removal In Wastewater Treatment: Total removal: 93.97 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 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 0.769 13.9 1000 Water 5.82 208 1000 Soil 30.9 416 1000 Sediment 62.5 1.87e+003 0 Persistence Time: 680 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight