Try beta.chemspider
2,5-Dimethyltridecane
CCCCCCCCC(C)CCC(C)C
InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3
WHEITGBIIYGVLM-UHFFFAOYSA-N
CSID:38176, http://www.chemspider.com/Chemical-Structure.38176.html (accessed 09:56, Apr 26, 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) = 7.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.51 (Adapted Stein & Brown method) Melting Pt (deg C): -9.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.075 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.003826 log Kow used: 7.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00079401 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: 5.48E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.479E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.56 (KowWin est) Log Kaw used: 2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.608 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) : 0.4252 Biowin6 (MITI Non-Linear Model): 0.5342 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1023 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2818 BioHC Half-Life (days) : 19.1344 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.6 Pa (0.072 mm Hg) Log Koa (Koawin est ): 4.608 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.12E-007 Octanol/air (Koa) model: 9.95E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.13E-005 Mackay model : 2.5E-005 Octanol/air (Koa) model: 7.96E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4436 E-12 cm3/molecule-sec Half-Life = 0.580 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.959 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.81E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.708E+004 Log Koc: 4.433 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 = 2.542 (BCF = 348) log Kow used: 7.56 (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: 99.51 percent Total biodegradation: 0.22 percent Total sludge adsorption: 62.59 percent Total to Air: 36.69 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.592 13.9 1000 Water 4.08 360 1000 Soil 24 720 1000 Sediment 71.4 3.24e+003 0 Persistence Time: 1.15e+003 hr
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