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1,4-Cyclohexanediylbis(methylene) dibenzoate
c1ccc(cc1)C(=O)OCC2CCC(CC2)COC(=O)c3ccccc3
InChI=1S/C22H24O4/c23-21(19-7-3-1-4-8-19)25-15-17-11-13-18(14-12-17)16-26-22(24)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2
CVPZXHCZKMFVOZ-UHFFFAOYSA-N
CSID:105675, http://www.chemspider.com/Chemical-Structure.105675.html (accessed 07:59, Jun 8, 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) = 6.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.07 (Adapted Stein & Brown method) Melting Pt (deg C): 84.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.72E-007 (Modified Grain method) Subcooled liquid VP: 2.15E-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): 0.04482 log Kow used: 6.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.2016 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.24E-008 atm-m3/mole Group Method: 1.86E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.918E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.00 (KowWin est) Log Kaw used: -5.669 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.669 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1843 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7448 (weeks-months) Biowin4 (Primary Survey Model) : 3.8070 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6359 Biowin6 (MITI Non-Linear Model): 0.4978 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3127 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): 0.000287 Pa (2.15E-006 mm Hg) Log Koa (Koawin est ): 11.669 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0105 Octanol/air (Koa) model: 0.115 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.274 Mackay model : 0.456 Octanol/air (Koa) model: 0.902 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.8092 E-12 cm3/molecule-sec Half-Life = 0.601 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.207 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.365 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.878E+004 Log Koc: 4.769 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.236E-002 L/mol-sec Kb Half-Life at pH 8: 189.388 days Kb Half-Life at pH 7: 5.185 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.922 (BCF = 8350) log Kow used: 6.00 (estimated) Volatilization from Water: Henry LC: 1.86E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.909E+005 hours (2.462E+004 days) Half-Life from Model Lake : 6.447E+006 hours (2.686E+005 days) Removal In Wastewater Treatment: Total removal: 92.15 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.39 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 0.00995 14.4 1000 Water 3.3 900 1000 Soil 48.1 1.8e+003 1000 Sediment 48.6 8.1e+003 0 Persistence Time: 3.33e+003 hr
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