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Dicyclohexyl 2,3-oxiranedicarboxylate
C1CCC(CC1)OC(=O)C2C(O2)C(=O)OC3CCCCC3
InChI=1S/C16H24O5/c17-15(19-11-7-3-1-4-8-11)13-14(21-13)16(18)20-12-9-5-2-6-10-12/h11-14H,1-10H2
BFNPKMCCSOGPLI-UHFFFAOYSA-N
CSID:15095987, http://www.chemspider.com/Chemical-Structure.15095987.html (accessed 10:51, May 13, 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.26 (Adapted Stein & Brown method) Melting Pt (deg C): 20.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000153 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.132 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 530.52 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.798E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -5.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.765 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6075 Biowin2 (Non-Linear Model) : 0.9715 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8160 (weeks ) Biowin4 (Primary Survey Model) : 3.8683 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7664 Biowin6 (MITI Non-Linear Model): 0.6462 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1198 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): 0.0204 Pa (0.000153 mm Hg) Log Koa (Koawin est ): 9.765 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000147 Octanol/air (Koa) model: 0.00143 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00528 Mackay model : 0.0116 Octanol/air (Koa) model: 0.103 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7031 E-12 cm3/molecule-sec Half-Life = 0.451 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.415 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00846 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 153 Log Koc: 2.185 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.651E-002 L/mol-sec Kb Half-Life at pH 8: 104.846 days Kb Half-Life at pH 7: 2.871 years Total Ka (acid-catalyzed) at 25 deg C : 3.668E-010 L/mol-sec Ka Half-Life at pH 7: 5.987E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.710 (BCF = 512.3) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 1.13E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8922 hours (371.7 days) Half-Life from Model Lake : 9.747E+004 hours (4061 days) Removal In Wastewater Treatment: Total removal: 52.30 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.80 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 0.595 10.8 1000 Water 19.9 360 1000 Soil 73 720 1000 Sediment 6.51 3.24e+003 0 Persistence Time: 575 hr
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