2-Butoxyethyl stearate
CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC
InChI=1S/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3
NHUXFMNHQIITCP-UHFFFAOYSA-N
CSID:59448, http://www.chemspider.com/Chemical-Structure.59448.html (accessed 14:09, Mar 31, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 9.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 419.06 (Adapted Stein & Brown method) Melting Pt (deg C): 141.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-007 (Modified Grain method) Subcooled liquid VP: 2.85E-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): 3.372e-005 log Kow used: 9.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.8168e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.93E-004 atm-m3/mole Group Method: 1.69E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.852E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.43 (KowWin est) Log Kaw used: -1.615 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.045 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6081 Biowin2 (Non-Linear Model) : 0.8681 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0774 (weeks ) Biowin4 (Primary Survey Model) : 4.0501 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9516 Biowin6 (MITI Non-Linear Model): 0.9437 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 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): 0.00038 Pa (2.85E-006 mm Hg) Log Koa (Koawin est ): 11.045 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00789 Octanol/air (Koa) model: 0.0272 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.222 Mackay model : 0.387 Octanol/air (Koa) model: 0.685 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.6456 E-12 cm3/molecule-sec Half-Life = 0.251 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.010 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.304 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.338E+005 Log Koc: 5.126 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec Kb Half-Life at pH 8: 129.295 days Kb Half-Life at pH 7: 3.540 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 9.43 (estimated) Volatilization from Water: Henry LC: 0.000169 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.796 hours Half-Life from Model Lake : 260.4 hours (10.85 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.198 6.02 1000 Water 3.7 360 1000 Soil 28.8 720 1000 Sediment 67.3 3.24e+003 0 Persistence Time: 1.26e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight