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3,7-Dimethyl-1,7-octadien-3-ol
CC(=C)CCCC(C)(C=C)O
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,11H,1-2,6-8H2,3-4H3
GYJHTGZQPKPEOT-UHFFFAOYSA-N
CSID:62238, http://www.chemspider.com/Chemical-Structure.62238.html (accessed 06:08, Apr 27, 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) = 3.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 196.43 (Adapted Stein & Brown method) Melting Pt (deg C): -11.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0914 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 260.9 log Kow used: 3.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 331.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.58E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.110E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.46 (KowWin est) Log Kaw used: -2.835 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.295 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4902 Biowin2 (Non-Linear Model) : 0.2880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months) Biowin4 (Primary Survey Model) : 3.4717 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5009 Biowin6 (MITI Non-Linear Model): 0.4854 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0531 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 10.9 Pa (0.0818 mm Hg) Log Koa (Koawin est ): 6.295 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.75E-007 Octanol/air (Koa) model: 4.84E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.94E-006 Mackay model : 2.2E-005 Octanol/air (Koa) model: 3.87E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.4202 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.503 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.375000 E-17 cm3/molecule-sec Half-Life = 0.833 Days (at 7E11 mol/cm3) Half-Life = 20.003 Hrs Fraction sorbed to airborne particulates (phi): 1.6E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 56.32 Log Koc: 1.751 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 = 1.964 (BCF = 92.07) log Kow used: 3.46 (estimated) Volatilization from Water: Henry LC: 3.58E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 21.58 hours Half-Life from Model Lake : 339.5 hours (14.15 days) Removal In Wastewater Treatment: Total removal: 13.74 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.87 percent Total to Air: 1.70 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.141 2.61 1000 Water 16.2 900 1000 Soil 82.6 1.8e+003 1000 Sediment 1.07 8.1e+003 0 Persistence Time: 1.01e+003 hr
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