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2-Methyl-3-decanol
CCCCCCCC(C(C)C)O
InChI=1S/C11H24O/c1-4-5-6-7-8-9-11(12)10(2)3/h10-12H,4-9H2,1-3H3
XVLRKTPBYFWJAW-UHFFFAOYSA-N
CSID:127941, http://www.chemspider.com/Chemical-Structure.127941.html (accessed 15:48, May 23, 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) = 4.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.93 (Adapted Stein & Brown method) Melting Pt (deg C): -4.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0124 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 57.47 log Kow used: 4.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 69.792 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.26E-005 atm-m3/mole Group Method: 2.18E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.892E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.13 (KowWin est) Log Kaw used: -2.528 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.658 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9327 Biowin2 (Non-Linear Model) : 0.9713 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2767 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9977 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5570 Biowin6 (MITI Non-Linear Model): 0.7293 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2366 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): 1.55 Pa (0.0116 mm Hg) Log Koa (Koawin est ): 6.658 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-006 Octanol/air (Koa) model: 1.12E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.01E-005 Mackay model : 0.000155 Octanol/air (Koa) model: 8.93E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.5147 E-12 cm3/molecule-sec Half-Life = 0.497 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.966 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 133.3 Log Koc: 2.125 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 = 2.481 (BCF = 303) log Kow used: 4.13 (estimated) Volatilization from Water: Henry LC: 7.26E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.93 hours Half-Life from Model Lake : 240.2 hours (10.01 days) Removal In Wastewater Treatment: Total removal: 38.17 percent Total biodegradation: 0.36 percent Total sludge adsorption: 35.49 percent Total to Air: 2.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.94 11.9 1000 Water 24.2 208 1000 Soil 71.2 416 1000 Sediment 2.6 1.87e+003 0 Persistence Time: 281 hr
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