6-Methyl-1-heptene
CC(C)CCCC=C
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3
DFVOXRAAHOJJBN-UHFFFAOYSA-N
CSID:19864, http://www.chemspider.com/Chemical-Structure.19864.html (accessed 02:57, Apr 19, 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) = 4.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 103.90 (Adapted Stein & Brown method) Melting Pt (deg C): -81.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 25 (Mean VP of Antoine & Grain methods) BP (exp database): 113.2 deg C VP (exp database): 2.52E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.58 log Kow used: 4.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.6258 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.32E-001 atm-m3/mole Group Method: 1.28E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.489E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.06 (KowWin est) Log Kaw used: 1.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.648 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6941 Biowin2 (Non-Linear Model) : 0.8046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9512 (weeks ) Biowin4 (Primary Survey Model) : 3.6858 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4953 Biowin6 (MITI Non-Linear Model): 0.6455 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3685 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7663 BioHC Half-Life (days) : 5.8381 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.36E+003 Pa (25.2 mm Hg) Log Koa (Koawin est ): 2.648 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.93E-010 Octanol/air (Koa) model: 1.09E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.22E-008 Mackay model : 7.14E-008 Octanol/air (Koa) model: 8.73E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.9957 E-12 cm3/molecule-sec Half-Life = 0.324 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.890 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): 5.18E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 424.8 Log Koc: 2.628 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 = 2.426 (BCF = 267) log Kow used: 4.06 (estimated) Volatilization from Water: Henry LC: 0.632 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.082 hours Half-Life from Model Lake : 100.6 hours (4.193 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.65 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.94 percent Total to Air: 80.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.83 5.81 1000 Water 67.3 360 1000 Soil 16.1 720 1000 Sediment 9.76 3.24e+003 0 Persistence Time: 91.1 hr
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