2-Methyl-1,4-pentadiene
CC(=C)CC=C
InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
DRWYRROCDFQZQF-UHFFFAOYSA-N
CSID:12447, http://www.chemspider.com/Chemical-Structure.12447.html (accessed 21:15, Sep 24, 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) = 3.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 60.86 (Adapted Stein & Brown method) Melting Pt (deg C): -105.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 244 (Mean VP of Antoine & Grain methods) BP (exp database): 56 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 89.66 log Kow used: 3.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 415.48 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.99E-001 atm-m3/mole Group Method: 1.77E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.942E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.07 (KowWin est) Log Kaw used: 0.910 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.160 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7084 Biowin2 (Non-Linear Model) : 0.8632 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0176 (weeks ) Biowin4 (Primary Survey Model) : 3.7292 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5485 Biowin6 (MITI Non-Linear Model): 0.6782 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4149 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4261 BioHC Half-Life (days) : 2.6674 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.23E+004 Pa (242 mm Hg) Log Koa (Koawin est ): 2.160 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.3E-011 Octanol/air (Koa) model: 3.55E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.36E-009 Mackay model : 7.44E-009 Octanol/air (Koa) model: 2.84E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 78.7700 E-12 cm3/molecule-sec Half-Life = 0.136 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.629 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 5.4E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.9 Log Koc: 2.096 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 = 1.665 (BCF = 46.24) log Kow used: 3.07 (estimated) Volatilization from Water: Henry LC: 0.177 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 0.9279 hours (55.67 min) Half-Life from Model Lake : 86.12 hours (3.588 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.58 percent Total biodegradation: 0.03 percent Total sludge adsorption: 2.94 percent Total to Air: 95.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.01 2.53 1000 Water 85.9 360 1000 Soil 8.44 720 1000 Sediment 1.64 3.24e+003 0 Persistence Time: 71.6 hr
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