1-Nonen-3-ol
CCCCCCC(C=C)O
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
DWUPJMHAPOQKGJ-UHFFFAOYSA-N
CSID:80830, http://www.chemspider.com/Chemical-Structure.80830.html (accessed 00:18, Apr 20, 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) = 3.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 200.65 (Adapted Stein & Brown method) Melting Pt (deg C): -17.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.109 (Mean VP of Antoine & Grain methods) BP (exp database): 193.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 613.1 log Kow used: 3.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 421.81 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 : 3.07E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.327E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.09 (KowWin est) Log Kaw used: -2.901 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.991 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9470 Biowin2 (Non-Linear Model) : 0.9811 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3431 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0410 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6655 Biowin6 (MITI Non-Linear Model): 0.8287 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3151 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): 13 Pa (0.0974 mm Hg) Log Koa (Koawin est ): 5.991 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.31E-007 Octanol/air (Koa) model: 2.4E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.34E-006 Mackay model : 1.85E-005 Octanol/air (Koa) model: 1.92E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.7600 E-12 cm3/molecule-sec Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.074 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): 1.34E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 45.79 Log Koc: 1.661 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 = 1.677 (BCF = 47.5) log Kow used: 3.09 (estimated) Volatilization from Water: Henry LC: 3.07E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 23.96 hours Half-Life from Model Lake : 361.4 hours (15.06 days) Removal In Wastewater Treatment: Total removal: 8.04 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.34 percent Total to Air: 1.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.851 4.85 1000 Water 26.9 208 1000 Soil 71.9 416 1000 Sediment 0.393 1.87e+003 0 Persistence Time: 273 hr
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