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1-Penten-2-ol
CCCC(=C)O
InChI=1S/C5H10O/c1-3-4-5(2)6/h6H,2-4H2,1H3
RTJBLRZRSVEQRH-UHFFFAOYSA-N
CSID:151722, http://www.chemspider.com/Chemical-Structure.151722.html (accessed 03:57, Apr 26, 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) = 1.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 145.65 (Adapted Stein & Brown method) Melting Pt (deg C): -55.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.72 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3875 log Kow used: 1.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 882.28 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.84E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.030E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.78 (KowWin est) Log Kaw used: -2.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.274 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8653 Biowin2 (Non-Linear Model) : 0.9480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1688 (weeks ) Biowin4 (Primary Survey Model) : 3.8529 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7286 Biowin6 (MITI Non-Linear Model): 0.8785 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7942 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): 207 Pa (1.55 mm Hg) Log Koa (Koawin est ): 4.274 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.45E-008 Octanol/air (Koa) model: 4.61E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.24E-007 Mackay model : 1.16E-006 Octanol/air (Koa) model: 3.69E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.0049 E-12 cm3/molecule-sec Half-Life = 0.198 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.377 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 8.43E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.777 Log Koc: 0.577 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 = 0.667 (BCF = 4.642) log Kow used: 1.77 (estimated) Volatilization from Water: Henry LC: 7.84E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.878 hours Half-Life from Model Lake : 163.8 hours (6.823 days) Removal In Wastewater Treatment: Total removal: 5.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 percent Total to Air: 3.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.831 3.97 1000 Water 35.1 360 1000 Soil 64 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 315 hr
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