3-(4-Methyl-3-penten-1-yl)furan
CC(=CCCc1ccoc1)C
InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
XNGKCOFXDHYSGR-UHFFFAOYSA-N
CSID:61612, http://www.chemspider.com/Chemical-Structure.61612.html (accessed 15:55, 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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 196.79 (Adapted Stein & Brown method) Melting Pt (deg C): -16.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.738 (Mean VP of Antoine & Grain methods) BP (exp database): 185.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 19.35 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 63.008 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.54E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.539E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: 0.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.194 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7307 Biowin2 (Non-Linear Model) : 0.8104 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7923 (weeks ) Biowin4 (Primary Survey Model) : 3.5625 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2906 Biowin6 (MITI Non-Linear Model): 0.2538 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2213 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 89.6 Pa (0.672 mm Hg) Log Koa (Koawin est ): 4.194 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.35E-008 Octanol/air (Koa) model: 3.84E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.21E-006 Mackay model : 2.68E-006 Octanol/air (Koa) model: 3.07E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 190.1060 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.675 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.94E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2723 Log Koc: 3.435 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 = 2.539 (BCF = 346.1) log Kow used: 4.21 (estimated) Volatilization from Water: Henry LC: 0.0254 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.279 hours Half-Life from Model Lake : 116.7 hours (4.863 days) Removal In Wastewater Treatment: Total removal: 92.71 percent Total biodegradation: 0.12 percent Total sludge adsorption: 25.55 percent Total to Air: 67.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.137 0.434 1000 Water 21.9 360 1000 Soil 73.6 720 1000 Sediment 4.41 3.24e+003 0 Persistence Time: 281 hr
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