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3-Methyldecane
CCCCCCCC(C)CC
InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3
JJRUZTXRDDMYGM-UHFFFAOYSA-N
CSID:83276, http://www.chemspider.com/Chemical-Structure.83276.html (accessed 07:18, Apr 24, 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) = 5.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 173.05 (Adapted Stein & Brown method) Melting Pt (deg C): -43.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.907 (Mean VP of Antoine & Grain methods) MP (exp database): -92.9 deg C BP (exp database): 188.1 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.2971 log Kow used: 5.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.049029 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.04E+000 atm-m3/mole Group Method: 1.14E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.279E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.67 (KowWin est) Log Kaw used: 2.459 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.211 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7816 Biowin2 (Non-Linear Model) : 0.9329 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1521 (weeks ) Biowin4 (Primary Survey Model) : 3.8913 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5436 Biowin6 (MITI Non-Linear Model): 0.7267 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2957 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9549 BioHC Half-Life (days) : 9.0138 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 111 Pa (0.83 mm Hg) Log Koa (Koawin est ): 3.211 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.71E-008 Octanol/air (Koa) model: 3.99E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.79E-007 Mackay model : 2.17E-006 Octanol/air (Koa) model: 3.19E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.7998 E-12 cm3/molecule-sec Half-Life = 0.836 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.028 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.57E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2792 Log Koc: 3.446 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 = 2.666 (BCF = 463.3) log Kow used: 5.67 (estimated) Volatilization from Water: Henry LC: 7.04 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.276 hours Half-Life from Model Lake : 118.8 hours (4.948 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.96 percent Total biodegradation: 0.17 percent Total sludge adsorption: 56.96 percent Total to Air: 42.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.47 20.1 1000 Water 15.5 360 1000 Soil 12.8 720 1000 Sediment 67.2 3.24e+003 0 Persistence Time: 367 hr
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