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Bis(2-ethylhexyl) 1,2-cyclohexanedicarboxylate
CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC
InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3
DIMOQAGSNHTROK-UHFFFAOYSA-N
CSID:6526, http://www.chemspider.com/Chemical-Structure.6526.html (accessed 17:51, May 16, 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) = 8.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.22 (Adapted Stein & Brown method) Melting Pt (deg C): 32.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.59E-006 (Modified Grain method) Subcooled liquid VP: 6.56E-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): 9.103e-005 log Kow used: 8.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00080609 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.01E-005 atm-m3/mole Group Method: 1.17E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.205E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.84 (KowWin est) Log Kaw used: -2.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.625 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1239 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1998 (weeks ) Biowin4 (Primary Survey Model) : 4.2716 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7179 Biowin6 (MITI Non-Linear Model): 0.6960 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2469 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): 0.000875 Pa (6.56E-006 mm Hg) Log Koa (Koawin est ): 11.625 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00343 Octanol/air (Koa) model: 0.104 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.11 Mackay model : 0.215 Octanol/air (Koa) model: 0.892 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.2849 E-12 cm3/molecule-sec Half-Life = 0.365 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.383 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.654E+005 Log Koc: 5.219 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.248E-002 L/mol-sec Kb Half-Life at pH 8: 1.760 years Kb Half-Life at pH 7: 17.602 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.792 (BCF = 6.19) log Kow used: 8.84 (estimated) Volatilization from Water: Henry LC: 1.17E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 101.7 hours (4.237 days) Half-Life from Model Lake : 1276 hours (53.18 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.283 8.76 1000 Water 3.72 360 1000 Soil 28.5 720 1000 Sediment 67.5 3.24e+003 0 Persistence Time: 1.26e+003 hr
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