4-Methyl-4-penten-2-yn-1-ol
C(#CCO)\C(=C)C CopyCopied
InChI=1S/C6H8O/c1-6(2)4-3-5-7/h7H,1,5H2,2H3 CopyCopied
JEHOGLRXCCPCJQ-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 167.20 (Adapted Stein & Brown method) Melting Pt (deg C): 9.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.509 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.146e+004 log Kow used: 1.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36786 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Propargyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.41E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.251E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.03 (KowWin est) Log Kaw used: -4.519 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.549 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8605 Biowin2 (Non-Linear Model) : 0.9406 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1467 (weeks ) Biowin4 (Primary Survey Model) : 3.8385 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6495 Biowin6 (MITI Non-Linear Model): 0.7791 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7682 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): 60.4 Pa (0.453 mm Hg) Log Koa (Koawin est ): 5.549 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.97E-008 Octanol/air (Koa) model: 8.69E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.79E-006 Mackay model : 3.97E-006 Octanol/air (Koa) model: 6.95E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.3150 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.375 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.140500 E-17 cm3/molecule-sec Half-Life = 1.005 Days (at 7E11 mol/cm3) Half-Life = 24.116 Hrs Fraction sorbed to airborne particulates (phi): 2.88E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.966 Log Koc: 0.843 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 = 0.091 (BCF = 1.234) log Kow used: 1.03 (estimated) Volatilization from Water: Henry LC: 7.41E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 775.7 hours (32.32 days) Half-Life from Model Lake : 8544 hours (356 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.342 2.47 1000 Water 43.8 360 1000 Soil 55.8 720 1000 Sediment 0.0883 3.24e+003 0 Persistence Time: 355 hr
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