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3-Nonyn-1-ol
CCCCCC#CCCO
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3
TZZVRLFUTNYDEG-UHFFFAOYSA-N
CSID:110033, http://www.chemspider.com/Chemical-Structure.110033.html (accessed 12:57, Apr 25, 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) = 2.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 233.60 (Adapted Stein & Brown method) Melting Pt (deg C): 43.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0059 (Modified Grain method) Subcooled liquid VP: 0.00869 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1689 log Kow used: 2.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 772.76 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Propargyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-006 atm-m3/mole Group Method: 6.29E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.445E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.58 (KowWin est) Log Kaw used: -4.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.759 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9479 Biowin2 (Non-Linear Model) : 0.9816 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3476 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0439 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7530 Biowin6 (MITI Non-Linear Model): 0.8887 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7275 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): 1.16 Pa (0.00869 mm Hg) Log Koa (Koawin est ): 6.759 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.59E-006 Octanol/air (Koa) model: 1.41E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.35E-005 Mackay model : 0.000207 Octanol/air (Koa) model: 0.000113 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.6007 E-12 cm3/molecule-sec Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.414 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.00015 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 52.14 Log Koc: 1.717 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 = 1.287 (BCF = 19.38) log Kow used: 2.58 (estimated) Volatilization from Water: Henry LC: 6.29E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1103 hours (45.98 days) Half-Life from Model Lake : 1.214E+004 hours (505.7 days) Removal In Wastewater Treatment: Total removal: 3.38 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.24 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.03 6.82 1000 Water 28.5 208 1000 Soil 70.3 416 1000 Sediment 0.188 1.87e+003 0 Persistence Time: 282 hr
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