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3,15-Dimethylnonacosane
CCCCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CC
InChI=1S/C31H64/c1-5-7-8-9-10-11-12-13-15-19-22-25-28-31(4)29-26-23-20-17-14-16-18-21-24-27-30(3)6-2/h30-31H,5-29H2,1-4H3
FFPNPLLVUJHJAN-UHFFFAOYSA-N
CSID:4936397, http://www.chemspider.com/Chemical-Structure.4936397.html (accessed 12:53, Jun 14, 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) = 15.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.07 (Adapted Stein & Brown method) Melting Pt (deg C): 141.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.73E-008 (Modified Grain method) Subcooled liquid VP: 1.48E-006 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): 3.561e-011 log Kow used: 15.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3686e-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 : 2.04E+003 atm-m3/mole Group Method: 1.38E+004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.571E+003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 15.42 (KowWin est) Log Kaw used: 4.921 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.499 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6480 Biowin2 (Non-Linear Model) : 0.2057 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5321 (weeks-months) Biowin4 (Primary Survey Model) : 3.4865 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5482 Biowin6 (MITI Non-Linear Model): 0.6294 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5181 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3442 BioHC Half-Life (days) : 220.9194 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000197 Pa (1.48E-006 mm Hg) Log Koa (Koawin est ): 10.499 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0152 Octanol/air (Koa) model: 0.00774 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.354 Mackay model : 0.549 Octanol/air (Koa) model: 0.383 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.3369 E-12 cm3/molecule-sec Half-Life = 0.259 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.105 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.452 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.087E+008 Log Koc: 8.706 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: 15.42 (estimated) Volatilization from Water: Henry LC: 2.04E+003 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.133 hours Half-Life from Model Lake : 198.5 hours (8.272 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0785 6.21 1000 Water 1.87 900 1000 Soil 29.3 1.8e+003 1000 Sediment 68.7 8.1e+003 0 Persistence Time: 3.19e+003 hr
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