6-Methyl-5-hepten-2-ol
CC(CCC=C(C)C)O
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
OHEFFKYYKJVVOX-UHFFFAOYSA-N
CSID:19533, http://www.chemspider.com/Chemical-Structure.19533.html (accessed 22:12, 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) = 2.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 182.59 (Adapted Stein & Brown method) Melting Pt (deg C): -36.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.324 (Mean VP of Antoine & Grain methods) BP (exp database): 175 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1919 log Kow used: 2.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4600.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-005 atm-m3/mole Group Method: 1.47E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.848E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.57 (KowWin est) Log Kaw used: -2.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.451 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8452 Biowin2 (Non-Linear Model) : 0.9094 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0758 (weeks ) Biowin4 (Primary Survey Model) : 3.7922 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5474 Biowin6 (MITI Non-Linear Model): 0.6625 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5427 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 38.4 Pa (0.288 mm Hg) Log Koa (Koawin est ): 5.451 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.81E-008 Octanol/air (Koa) model: 6.93E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.82E-006 Mackay model : 6.25E-006 Octanol/air (Koa) model: 5.55E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.3929 E-12 cm3/molecule-sec Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.304 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): 4.54E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.86 Log Koc: 1.298 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 = 1.281 (BCF = 19.11) log Kow used: 2.57 (estimated) Volatilization from Water: Henry LC: 3.22E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 21.74 hours Half-Life from Model Lake : 332.2 hours (13.84 days) Removal In Wastewater Treatment: Total removal: 4.98 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.17 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 0.0661 0.514 1000 Water 26 360 1000 Soil 73.7 720 1000 Sediment 0.203 3.24e+003 0 Persistence Time: 422 hr
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