2-Methyl-1-butene
CCC(=C)C
InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
MHNNAWXXUZQSNM-UHFFFAOYSA-N
CSID:10766, http://www.chemspider.com/Chemical-Structure.10766.html (accessed 03:05, Dec 9, 2023)
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) = 2.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 36.92 (Adapted Stein & Brown method) Melting Pt (deg C): -117.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 610 (Mean VP of Antoine & Grain methods) MP (exp database): -137.5 deg C BP (exp database): 31.2 deg C VP (exp database): 6.10E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 188.1 log Kow used: 2.72 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 130 mg/L (25 deg C) Exper. Ref: SUZUKI,T (1991) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 165.84 mg/L Wat Sol (Exper. database match) = 130.00 Exper. Ref: SUZUKI,T (1991) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.19E-001 atm-m3/mole Group Method: 3.97E-001 atm-m3/mole Exper Database: 4.31E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.993E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.72 (KowWin est) Log Kaw used: 1.246 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.474 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7142 Biowin2 (Non-Linear Model) : 0.8821 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0442 (weeks ) Biowin4 (Primary Survey Model) : 3.7465 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5661 Biowin6 (MITI Non-Linear Model): 0.7362 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5559 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3491 BioHC Half-Life (days) : 2.2342 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.13E+004 Pa (610 mm Hg) Log Koa (Koawin est ): 1.474 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.69E-011 Octanol/air (Koa) model: 7.31E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.33E-009 Mackay model : 2.95E-009 Octanol/air (Koa) model: 5.85E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.6373 E-12 cm3/molecule-sec Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.438 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): 2.14E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 Log Koc: 1.831 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 = 1.392 (BCF = 24.65) log Kow used: 2.72 (estimated) Volatilization from Water: Henry LC: 0.431 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.8557 hours (51.34 min) Half-Life from Model Lake : 79.56 hours (3.315 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.41 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.47 percent Total to Air: 97.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.89 3.55 1000 Water 90.7 360 1000 Soil 2.51 720 1000 Sediment 0.914 3.24e+003 0 Persistence Time: 67.8 hr
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