2-Methyl-1-heptene
CCCCCC(=C)C
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
RCBGGJURENJHKV-UHFFFAOYSA-N
CSID:25610, http://www.chemspider.com/Chemical-Structure.25610.html (accessed 14:03, 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) = 4.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 111.73 (Adapted Stein & Brown method) Melting Pt (deg C): -78.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.4 (Mean VP of Antoine & Grain methods) MP (exp database): -90 deg C BP (exp database): 119.3 deg C VP (exp database): 2.02E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.201 log Kow used: 4.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.4974 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.46E-001 atm-m3/mole Group Method: 1.12E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.493E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.19 (KowWin est) Log Kaw used: 1.484 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8026 Biowin2 (Non-Linear Model) : 0.9630 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2495 (weeks ) Biowin4 (Primary Survey Model) : 3.9549 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5892 Biowin6 (MITI Non-Linear Model): 0.7503 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3161 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5483 BioHC Half-Life (days) : 3.5345 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.69E+003 Pa (20.2 mm Hg) Log Koa (Koawin est ): 2.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.11E-009 Octanol/air (Koa) model: 1.25E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.02E-008 Mackay model : 8.91E-008 Octanol/air (Koa) model: 9.98E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.8270 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.259 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): 6.47E-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 = 2.526 (BCF = 336) log Kow used: 4.19 (estimated) Volatilization from Water: Henry LC: 0.746 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: 99.72 percent Total biodegradation: 0.08 percent Total sludge adsorption: 22.97 percent Total to Air: 76.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.42 3.77 1000 Water 65.3 360 1000 Soil 17.7 720 1000 Sediment 12.6 3.24e+003 0 Persistence Time: 93.8 hr
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