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2-Methylhexacosane
CCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3
BEBPORIYFVRVCP-UHFFFAOYSA-N
CSID:133028, http://www.chemspider.com/Chemical-Structure.133028.html (accessed 04:34, Jul 8, 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) = 13.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.65 (Adapted Stein & Brown method) Melting Pt (deg C): 115.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.59E-006 (Modified Grain method) Subcooled liquid VP: 1.24E-005 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): 3.275e-009 log Kow used: 13.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.8075e-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 : 6.55E+002 atm-m3/mole Group Method: 2.87E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.432E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 13.53 (KowWin est) Log Kaw used: 4.428 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6747 Biowin2 (Non-Linear Model) : 0.3649 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6561 (weeks-months) Biowin4 (Primary Survey Model) : 3.5675 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6665 Biowin6 (MITI Non-Linear Model): 0.7975 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7116 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0173 BioHC Half-Life (days) : 104.0707 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00165 Pa (1.24E-005 mm Hg) Log Koa (Koawin est ): 9.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00181 Octanol/air (Koa) model: 0.00031 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0615 Mackay model : 0.127 Octanol/air (Koa) model: 0.0242 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.1239 E-12 cm3/molecule-sec Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.654 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0941 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.778E+007 Log Koc: 7.679 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: 13.53 (estimated) Volatilization from Water: Henry LC: 655 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.991 hours Half-Life from Model Lake : 185.3 hours (7.722 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.1 7.31 1000 Water 1.89 900 1000 Soil 28.2 1.8e+003 1000 Sediment 69.8 8.1e+003 0 Persistence Time: 3.12e+003 hr
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