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3,7-Dimethyl-1-octene
CC(C)CCCC(C)C=C
InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3
KSXTZYRIJKDCEA-UHFFFAOYSA-N
CSID:19830, http://www.chemspider.com/Chemical-Structure.19830.html (accessed 09:23, Apr 24, 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) = 4.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.38 (Adapted Stein & Brown method) Melting Pt (deg C): -68.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.3 (Mean VP of Antoine & Grain methods) BP (exp database): 154 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.384 log Kow used: 4.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1705 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.734E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.97 (KowWin est) Log Kaw used: 1.657 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.313 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6808 Biowin2 (Non-Linear Model) : 0.7344 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8892 (weeks ) Biowin4 (Primary Survey Model) : 3.6454 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3615 Biowin6 (MITI Non-Linear Model): 0.4278 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1231 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9604 BioHC Half-Life (days) : 9.1280 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 525 Pa (3.94 mm Hg) Log Koa (Koawin est ): 3.313 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.71E-009 Octanol/air (Koa) model: 5.05E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.06E-007 Mackay model : 4.57E-007 Octanol/air (Koa) model: 4.04E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8134 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 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): 3.32E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1269 Log Koc: 3.103 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 = 3.126 (BCF = 1337) log Kow used: 4.97 (estimated) Volatilization from Water: Henry LC: 1.11 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.209 hours Half-Life from Model Lake : 112.5 hours (4.687 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.84 percent Total biodegradation: 0.15 percent Total sludge adsorption: 47.37 percent Total to Air: 52.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.94 5.46 1000 Water 32.2 360 1000 Soil 30.4 720 1000 Sediment 34.5 3.24e+003 0 Persistence Time: 187 hr
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