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2-Nonanol
CCCCCCCC(C)O
InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
NGDNVOAEIVQRFH-UHFFFAOYSA-N
CSID:11861, http://www.chemspider.com/Chemical-Structure.11861.html (accessed 18:09, May 16, 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) = 3.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 202.13 (Adapted Stein & Brown method) Melting Pt (deg C): -15.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.109 (Mean VP of Antoine & Grain methods) MP (exp database): -35.5 deg C BP (exp database): 193.5 deg C VP (exp database): 6.76E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 459.7 log Kow used: 3.22 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 259 mg/L (15 deg C) Exper. Ref: BARTON,AFM (1984) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 413.45 mg/L Wat Sol (Exper. database match) = 259.00 Exper. Ref: BARTON,AFM (1984) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.12E-005 atm-m3/mole Group Method: 9.09E-005 atm-m3/mole Exper Database: 4.88E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.501E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.22 (KowWin est) Log Kaw used: -2.700 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.920 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9460 Biowin2 (Non-Linear Model) : 0.9806 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3387 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0381 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6908 Biowin6 (MITI Non-Linear Model): 0.8678 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4821 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): 9.01 Pa (0.0676 mm Hg) Log Koa (Koawin est ): 5.920 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.33E-007 Octanol/air (Koa) model: 2.04E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.2E-005 Mackay model : 2.66E-005 Octanol/air (Koa) model: 1.63E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.0403 E-12 cm3/molecule-sec Half-Life = 0.628 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.532 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.93E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.71 Log Koc: 1.641 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 = 1.782 (BCF = 60.49) log Kow used: 3.22 (estimated) Volatilization from Water: Henry LC: 4.88E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 15.64 hours Half-Life from Model Lake : 271.3 hours (11.3 days) Removal In Wastewater Treatment: Total removal: 10.34 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.81 percent Total to Air: 2.38 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.35 15.1 1000 Water 25.8 208 1000 Soil 71.3 416 1000 Sediment 0.472 1.87e+003 0 Persistence Time: 276 hr
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