(Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yloxy)acetaldehyde
C1C=CC2C1C3CC2CC3OCC=O
InChI=1S/C12H16O2/c13-4-5-14-12-7-8-6-11(12)10-3-1-2-9(8)10/h1-2,4,8-12H,3,5-7H2
IKAWYZAMQMXCJD-UHFFFAOYSA-N
CSID:152757, http://www.chemspider.com/Chemical-Structure.152757.html (accessed 20:47, Mar 28, 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) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 272.68 (Adapted Stein & Brown method) Melting Pt (deg C): 52.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00463 (Modified Grain method) Subcooled liquid VP: 0.00822 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): 2306 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1029.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.43E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.079E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -3.654 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.194 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5933 Biowin2 (Non-Linear Model) : 0.9825 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7880 (weeks ) Biowin4 (Primary Survey Model) : 3.7573 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7362 Biowin6 (MITI Non-Linear Model): 0.5401 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4176 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): 1.1 Pa (0.00822 mm Hg) Log Koa (Koawin est ): 5.194 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-006 Octanol/air (Koa) model: 3.84E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.89E-005 Mackay model : 0.000219 Octanol/air (Koa) model: 3.07E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 139.0610 E-12 cm3/molecule-sec Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.923 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 0.000159 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.15 Log Koc: 1.827 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 = 0.488 (BCF = 3.074) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.43E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 150.9 hours (6.288 days) Half-Life from Model Lake : 1763 hours (73.44 days) Removal In Wastewater Treatment: Total removal: 2.29 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.111 0.788 1000 Water 38.3 360 1000 Soil 61.5 720 1000 Sediment 0.0929 3.24e+003 0 Persistence Time: 370 hr
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