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5-Bromo-1-pentene
C=CCCCBr
InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
LPNANKDXVBMDKE-UHFFFAOYSA-N
CSID:63870, http://www.chemspider.com/Chemical-Structure.63870.html (accessed 01:18, Jul 8, 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) = 3.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 123.75 (Adapted Stein & Brown method) Melting Pt (deg C): -55.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 14.9 (Mean VP of Antoine & Grain methods) BP (exp database): 125.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 208.4 log Kow used: 3.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 250.69 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-002 atm-m3/mole Group Method: 7.22E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.402E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.00 (KowWin est) Log Kaw used: -0.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.096 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6304 Biowin2 (Non-Linear Model) : 0.0279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8988 (weeks ) Biowin4 (Primary Survey Model) : 3.6681 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5323 Biowin6 (MITI Non-Linear Model): 0.2771 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0526 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): 1.85E+003 Pa (13.9 mm Hg) Log Koa (Koawin est ): 3.096 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-009 Octanol/air (Koa) model: 3.06E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-008 Mackay model : 1.29E-007 Octanol/air (Koa) model: 2.45E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.2989 E-12 cm3/molecule-sec Half-Life = 0.378 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.536 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 149 Log Koc: 2.173 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 = 1.613 (BCF = 41.03) log Kow used: 3.00 (estimated) Volatilization from Water: Henry LC: 0.00722 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.345 hours Half-Life from Model Lake : 117 hours (4.876 days) Removal In Wastewater Treatment: Total removal: 74.60 percent Total biodegradation: 0.05 percent Total sludge adsorption: 3.33 percent Total to Air: 71.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.03 6.5 1000 Water 40.2 360 1000 Soil 55.1 720 1000 Sediment 0.672 3.24e+003 0 Persistence Time: 156 hr
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