1-Nonanol
CCCCCCCCCO
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
ZWRUINPWMLAQRD-UHFFFAOYSA-N
CSID:8574, http://www.chemspider.com/Chemical-Structure.8574.html (accessed 12:42, 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) = 3.30 Log Kow (Exper. database match) = 3.77 Exper. Ref: Tewari,YB et al. (1982) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.09 (Adapted Stein & Brown method) Melting Pt (deg C): -3.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0328 (Mean VP of Antoine & Grain methods) MP (exp database): -5 deg C BP (exp database): 213.3 deg C VP (exp database): 2.27E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 156.8 log Kow used: 3.77 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 140 mg/L (25 deg C) Exper. Ref: BARTON,AFM (1984) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 246.7 mg/L Wat Sol (Exper. database match) = 140.00 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: 5.48E-005 atm-m3/mole Exper Database: 3.08E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.971E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.77 (exp database) Log Kaw used: -2.900 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.670 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) : 0.8398 Biowin6 (MITI Non-Linear Model): 0.9438 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7795 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): 3.03 Pa (0.0227 mm Hg) Log Koa (Koawin est ): 6.670 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.91E-007 Octanol/air (Koa) model: 1.15E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.58E-005 Mackay model : 7.93E-005 Octanol/air (Koa) model: 9.18E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.9553 E-12 cm3/molecule-sec Half-Life = 0.766 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.197 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.75E-005 (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 = 2.203 (BCF = 159.6) log Kow used: 3.77 (expkow database) Volatilization from Water: Henry LC: 3.08E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 24.06 hours (1.002 days) Half-Life from Model Lake : 363.2 hours (15.13 days) Removal In Wastewater Treatment: Total removal: 21.94 percent Total biodegradation: 0.24 percent Total sludge adsorption: 20.37 percent Total to Air: 1.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.59 18.4 1000 Water 25.7 208 1000 Soil 70.4 416 1000 Sediment 1.31 1.87e+003 0 Persistence Time: 284 hr
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