3-Methyltetradecane
CCCCCCCCCCCC(C)CC
InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3
HXUYUZCPGPKNGS-UHFFFAOYSA-N
CSID:78235, http://www.chemspider.com/Chemical-Structure.78235.html (accessed 11:25, Apr 18, 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) = 7.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 250.22 (Adapted Stein & Brown method) Melting Pt (deg C): 1.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0436 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.003311 log Kow used: 7.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00047379 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E+001 atm-m3/mole Group Method: 4.55E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.681E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.63 (KowWin est) Log Kaw used: 2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.678 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7548 Biowin2 (Non-Linear Model) : 0.8625 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0281 (weeks ) Biowin4 (Primary Survey Model) : 3.8103 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5743 Biowin6 (MITI Non-Linear Model): 0.7458 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3997 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2205 BioHC Half-Life (days) : 16.6156 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.69 Pa (0.0427 mm Hg) Log Koa (Koawin est ): 4.678 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.27E-007 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.9E-005 Mackay model : 4.22E-005 Octanol/air (Koa) model: 9.36E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4519 E-12 cm3/molecule-sec Half-Life = 0.580 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.956 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.06E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.231E+004 Log Koc: 4.509 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 = 2.441 (BCF = 276) log Kow used: 7.63 (estimated) Volatilization from Water: Henry LC: 21.9 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.487 hours Half-Life from Model Lake : 138.4 hours (5.768 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.43 percent Total biodegradation: 0.23 percent Total sludge adsorption: 63.03 percent Total to Air: 36.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.573 13.9 1000 Water 4.03 360 1000 Soil 24.5 720 1000 Sediment 70.9 3.24e+003 0 Persistence Time: 1.16e+003 hr
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