Try beta.chemspider
Bis(2-butoxyethyl) 2,2'-oxydiacetate
CCCCOCCOC(=O)COCC(=O)OCCOCCCC
InChI=1S/C16H30O7/c1-3-5-7-19-9-11-22-15(17)13-21-14-16(18)23-12-10-20-8-6-4-2/h3-14H2,1-2H3
UQPJEHMERZFYHT-UHFFFAOYSA-N
CSID:219391, http://www.chemspider.com/Chemical-Structure.219391.html (accessed 04:59, Jul 6, 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) = 1.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.74 (Adapted Stein & Brown method) Melting Pt (deg C): 31.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.8E-005 (Modified Grain method) Subcooled liquid VP: 7.74E-005 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): 367.7 log Kow used: 1.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4592.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.24E-010 atm-m3/mole Group Method: 7.92E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.137E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.55 (KowWin est) Log Kaw used: -7.878 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.428 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1115 Biowin2 (Non-Linear Model) : 0.4547 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3113 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3321 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0030 Biowin6 (MITI Non-Linear Model): 0.9331 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0747 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): 0.0103 Pa (7.74E-005 mm Hg) Log Koa (Koawin est ): 9.428 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000291 Octanol/air (Koa) model: 0.000658 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0104 Mackay model : 0.0227 Octanol/air (Koa) model: 0.05 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.9138 E-12 cm3/molecule-sec Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.795 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0166 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.378E+000 L/mol-sec Kb Half-Life at pH 8: 20.529 hours Kb Half-Life at pH 7: 8.554 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.490 (BCF = 3.093) log Kow used: 1.55 (estimated) Volatilization from Water: Henry LC: 3.24E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.305E+006 hours (1.377E+005 days) Half-Life from Model Lake : 3.605E+007 hours (1.502E+006 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.0105 5.59 1000 Water 26.7 208 1000 Soil 73.2 416 1000 Sediment 0.0607 1.87e+003 0 Persistence Time: 418 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight