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5,9-Dimethyl-3-decanol
CCC(CC(C)CCCC(C)C)O
InChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3
IAMDHPUVYSKJSO-UHFFFAOYSA-N
CSID:475107, http://www.chemspider.com/Chemical-Structure.475107.html (accessed 03:54, Apr 28, 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) = 4.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 236.23 (Adapted Stein & Brown method) Melting Pt (deg C): -4.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00785 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 21.61 log Kow used: 4.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.63E-005 atm-m3/mole Group Method: 3.70E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.907E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.55 (KowWin est) Log Kaw used: -2.405 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.955 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8176 Biowin2 (Non-Linear Model) : 0.8146 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9474 (weeks ) Biowin4 (Primary Survey Model) : 3.7083 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4156 Biowin6 (MITI Non-Linear Model): 0.5191 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2830 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.987 Pa (0.0074 mm Hg) Log Koa (Koawin est ): 6.955 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.04E-006 Octanol/air (Koa) model: 2.21E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00011 Mackay model : 0.000243 Octanol/air (Koa) model: 0.000177 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2040 E-12 cm3/molecule-sec Half-Life = 0.461 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.531 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000176 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 211.4 Log Koc: 2.325 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 = 2.803 (BCF = 635.3) log Kow used: 4.55 (estimated) Volatilization from Water: Henry LC: 9.63E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.692 hours Half-Life from Model Lake : 220.2 hours (9.175 days) Removal In Wastewater Treatment: Total removal: 59.78 percent Total biodegradation: 0.53 percent Total sludge adsorption: 57.41 percent Total to Air: 1.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.13 11.1 1000 Water 18.8 360 1000 Soil 72 720 1000 Sediment 8.03 3.24e+003 0 Persistence Time: 480 hr
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