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8-Butyl-9-methylnonadecane
CCCCCCCCCCC(C)C(CCCC)CCCCCCC
InChI=1S/C24H50/c1-5-8-11-13-14-15-17-18-20-23(4)24(21-10-7-3)22-19-16-12-9-6-2/h23-24H,5-22H2,1-4H3
ZWLLEVUYJWHGAF-UHFFFAOYSA-N
CSID:461760, http://www.chemspider.com/Chemical-Structure.461760.html (accessed 00:46, Apr 25, 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) = 11.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.84 (Adapted Stein & Brown method) Melting Pt (deg C): 67.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.5E-005 (Modified Grain method) Subcooled liquid VP: 0.000114 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.235e-007 log Kow used: 11.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3867e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E+002 atm-m3/mole Group Method: 1.23E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.624E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.98 (KowWin est) Log Kaw used: 4.059 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.921 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9116 Biowin2 (Non-Linear Model) : 0.9766 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3458 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1663 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4944 Biowin6 (MITI Non-Linear Model): 0.5885 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2993 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8794 BioHC Half-Life (days) : 75.7575 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0152 Pa (0.000114 mm Hg) Log Koa (Koawin est ): 7.921 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000197 Octanol/air (Koa) model: 2.05E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00708 Mackay model : 0.0155 Octanol/air (Koa) model: 0.00163 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.8564 E-12 cm3/molecule-sec Half-Life = 0.336 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.029 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.493E+006 Log Koc: 6.875 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 = 0.500 (BCF = 3.162) log Kow used: 11.98 (estimated) Volatilization from Water: Henry LC: 280 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.878 hours Half-Life from Model Lake : 174.8 hours (7.283 days) Removal In Wastewater Treatment: Total removal: 94.07 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.08 percent Total to Air: 0.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.515 8.06 1000 Water 5.68 208 1000 Soil 29.8 416 1000 Sediment 64 1.87e+003 0 Persistence Time: 673 hr
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