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4-(Decyloxy)benzaldehyde
CCCCCCCCCCOc1ccc(cc1)C=O
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13,15H,2-9,14H2,1H3
WOSYBKJRUQJISL-UHFFFAOYSA-N
CSID:124432, http://www.chemspider.com/Chemical-Structure.124432.html (accessed 04:07, May 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) = 6.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.60 (Adapted Stein & Brown method) Melting Pt (deg C): 102.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7E-005 (Modified Grain method) Subcooled liquid VP: 9.72E-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): 0.1001 log Kow used: 6.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.087613 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-005 atm-m3/mole Group Method: 4.88E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.864E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.21 (KowWin est) Log Kaw used: -3.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.590 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1476 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8819 (weeks ) Biowin4 (Primary Survey Model) : 4.0120 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0162 Biowin6 (MITI Non-Linear Model): 0.9671 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5916 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): 0.013 Pa (9.72E-005 mm Hg) Log Koa (Koawin est ): 9.590 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000231 Octanol/air (Koa) model: 0.000955 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00829 Mackay model : 0.0182 Octanol/air (Koa) model: 0.071 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.7825 E-12 cm3/molecule-sec Half-Life = 0.239 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.866 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0132 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5744 Log Koc: 3.759 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.582 (BCF = 382.4) log Kow used: 6.21 (estimated) Volatilization from Water: Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.596 hours Half-Life from Model Lake : 175.1 hours (7.294 days) Removal In Wastewater Treatment: Total removal: 92.91 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.88 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.307 5.73 1000 Water 6 360 1000 Soil 37 720 1000 Sediment 56.7 3.24e+003 0 Persistence Time: 938 hr
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