2-Propylfuran
CCCc1ccco1
InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
CPLJMYOQYRCCBY-UHFFFAOYSA-N
CSID:70298, http://www.chemspider.com/Chemical-Structure.70298.html (accessed 07:19, 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) = 2.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 131.75 (Adapted Stein & Brown method) Melting Pt (deg C): -42.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.5 (Mean VP of Antoine & Grain methods) BP (exp database): 115 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 368.2 log Kow used: 2.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 518.97 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.676E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.89 (KowWin est) Log Kaw used: -0.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.257 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7498 Biowin2 (Non-Linear Model) : 0.8830 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8809 (weeks ) Biowin4 (Primary Survey Model) : 3.6203 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4032 Biowin6 (MITI Non-Linear Model): 0.5076 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3744 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): 2.44E+003 Pa (18.3 mm Hg) Log Koa (Koawin est ): 3.257 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-009 Octanol/air (Koa) model: 4.44E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.44E-008 Mackay model : 9.84E-008 Octanol/air (Koa) model: 3.55E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.1013 E-12 cm3/molecule-sec Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.245 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 7.14E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 517.8 Log Koc: 2.714 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 = 1.527 (BCF = 33.65) log Kow used: 2.89 (estimated) Volatilization from Water: Henry LC: 0.0105 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.13 hours Half-Life from Model Lake : 100.3 hours (4.18 days) Removal In Wastewater Treatment: Total removal: 80.76 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.57 percent Total to Air: 78.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.24 2.49 1000 Water 52.6 360 1000 Soil 44.4 720 1000 Sediment 0.718 3.24e+003 0 Persistence Time: 119 hr
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