2,4-Dimethyl-2-pentene
CC(C)C=C(C)C
InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3
VVCFYASOGFVJFN-UHFFFAOYSA-N
CSID:11757, http://www.chemspider.com/Chemical-Structure.11757.html (accessed 13:30, Apr 18, 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) = 3.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 82.29 (Adapted Stein & Brown method) Melting Pt (deg C): -102.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 84.4 (Mean VP of Antoine & Grain methods) MP (exp database): -127.7 deg C BP (exp database): 83.4 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 32.16 log Kow used: 3.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 70.152 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.63E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.391E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.55 (KowWin est) Log Kaw used: 1.433 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.117 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7008 Biowin2 (Non-Linear Model) : 0.8340 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9822 (weeks ) Biowin4 (Primary Survey Model) : 3.7061 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3772 Biowin6 (MITI Non-Linear Model): 0.4249 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2784 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3866 BioHC Half-Life (days) : 2.4355 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.09E+004 Pa (81.6 mm Hg) Log Koa (Koawin est ): 2.117 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-010 Octanol/air (Koa) model: 3.21E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.96E-009 Mackay model : 2.21E-008 Octanol/air (Koa) model: 2.57E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.4466 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.435 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.6E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 193 Log Koc: 2.286 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 = 2.031 (BCF = 107.4) log Kow used: 3.55 (estimated) Volatilization from Water: Henry LC: 0.663 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.012 hours Half-Life from Model Lake : 94.13 hours (3.922 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.63 percent Total biodegradation: 0.04 percent Total sludge adsorption: 7.61 percent Total to Air: 91.98 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.873 0.523 1000 Water 87.8 360 1000 Soil 7.06 720 1000 Sediment 4.31 3.24e+003 0 Persistence Time: 70 hr
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