Dibutyl adipate
CCCCOC(=O)CCCCC(=O)OCCCC
InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
XTJFFFGAUHQWII-UHFFFAOYSA-N
CSID:7496, http://www.chemspider.com/Chemical-Structure.7496.html (accessed 06:07, Apr 20, 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) = 4.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.66 (Adapted Stein & Brown method) Melting Pt (deg C): -6.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00273 (Modified Grain method) MP (exp database): -10.8 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.231 log Kow used: 4.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.3126 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-006 atm-m3/mole Group Method: 9.30E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.193E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.33 (KowWin est) Log Kaw used: -3.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.990 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1898 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5053 (days-weeks ) Biowin4 (Primary Survey Model) : 4.4710 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1260 Biowin6 (MITI Non-Linear Model): 0.9865 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6451 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): 0.364 Pa (0.00273 mm Hg) Log Koa (Koawin est ): 7.990 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.24E-006 Octanol/air (Koa) model: 2.4E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000298 Mackay model : 0.000659 Octanol/air (Koa) model: 0.00192 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.6729 E-12 cm3/molecule-sec Half-Life = 0.844 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.128 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000478 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 429.1 Log Koc: 2.633 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.063E-001 L/mol-sec Kb Half-Life at pH 8: 75.431 days Kb Half-Life at pH 7: 2.065 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.637 (BCF = 43.34) log Kow used: 4.33 (estimated) Volatilization from Water: Henry LC: 9.3E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1014 hours (42.23 days) Half-Life from Model Lake : 1.119E+004 hours (466.3 days) Removal In Wastewater Treatment: Total removal: 46.91 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.43 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.28 20.3 1000 Water 25 208 1000 Soil 68.6 416 1000 Sediment 4.14 1.87e+003 0 Persistence Time: 308 hr
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