Benzyl palmitate
CCCCCCCCCCCCCCCC(=O)OCc1ccccc1
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24)25-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
CKEVMZSLVHLLBF-UHFFFAOYSA-N
CSID:13190195, http://www.chemspider.com/Chemical-Structure.13190195.html (accessed 02:47, 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) = 8.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.93 (Adapted Stein & Brown method) Melting Pt (deg C): 135.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.72E-007 (Modified Grain method) Subcooled liquid VP: 4.76E-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): 0.0001459 log Kow used: 8.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.8737e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.47E-004 atm-m3/mole Group Method: 1.90E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.163E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.96 (KowWin est) Log Kaw used: -1.515 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.475 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9933 Biowin2 (Non-Linear Model) : 0.9970 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8939 (weeks ) Biowin4 (Primary Survey Model) : 3.8507 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7025 Biowin6 (MITI Non-Linear Model): 0.8139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7082 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): 0.000635 Pa (4.76E-006 mm Hg) Log Koa (Koawin est ): 10.475 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00473 Octanol/air (Koa) model: 0.00733 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.146 Mackay model : 0.274 Octanol/air (Koa) model: 0.37 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.9683 E-12 cm3/molecule-sec Half-Life = 0.428 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.141 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.21 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.384E+005 Log Koc: 5.868 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.539E-002 L/mol-sec Kb Half-Life at pH 8: 84.097 days Kb Half-Life at pH 7: 2.302 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.630 (BCF = 4.265) log Kow used: 8.96 (estimated) Volatilization from Water: Henry LC: 0.00019 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.636 hours Half-Life from Model Lake : 239.4 hours (9.975 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.318 10.3 1000 Water 3.7 360 1000 Soil 28.8 720 1000 Sediment 67.2 3.24e+003 0 Persistence Time: 1.27e+003 hr
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