3-Ethoxy-4-(nonyloxy)benzaldehyde
CCCCCCCCCOc1ccc(cc1OCC)C=O
InChI=1S/C18H28O3/c1-3-5-6-7-8-9-10-13-21-17-12-11-16(15-19)14-18(17)20-4-2/h11-12,14-15H,3-10,13H2,1-2H3
SOLWGKXSYKYHMD-UHFFFAOYSA-N
CSID:17575769, http://www.chemspider.com/Chemical-Structure.17575769.html (accessed 03:50, Apr 19, 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) = 5.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.26 (Adapted Stein & Brown method) Melting Pt (deg C): 124.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.71E-006 (Modified Grain method) Subcooled liquid VP: 2.64E-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): 0.1589 log Kow used: 5.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.045945 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.02E-007 atm-m3/mole Group Method: 3.79E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.562E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.78 (KowWin est) Log Kaw used: -4.609 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.389 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2652 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7574 (weeks ) Biowin4 (Primary Survey Model) : 4.0458 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1143 Biowin6 (MITI Non-Linear Model): 0.9767 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7854 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): 0.00352 Pa (2.64E-005 mm Hg) Log Koa (Koawin est ): 10.389 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000852 Octanol/air (Koa) model: 0.00601 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0299 Mackay model : 0.0638 Octanol/air (Koa) model: 0.325 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.8964 E-12 cm3/molecule-sec Half-Life = 0.206 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.473 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0468 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4173 Log Koc: 3.620 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 = 2.747 (BCF = 558.2) log Kow used: 5.78 (estimated) Volatilization from Water: Henry LC: 0.000379 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.387 hours Half-Life from Model Lake : 191.2 hours (7.968 days) Removal In Wastewater Treatment: Total removal: 91.06 percent Total biodegradation: 0.75 percent Total sludge adsorption: 89.75 percent Total to Air: 0.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.356 4.95 1000 Water 8.54 360 1000 Soil 46.6 720 1000 Sediment 44.5 3.24e+003 0 Persistence Time: 749 hr
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