Icosane
CCCCCCCCCCCCCCCCCCCC
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
CBFCDTFDPHXCNY-UHFFFAOYSA-N
CSID:7929, http://www.chemspider.com/Chemical-Structure.7929.html (accessed 06:18, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 10.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.99 (Adapted Stein & Brown method) Melting Pt (deg C): 51.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00031 (Modified Grain method) MP (exp database): 36.8 deg C BP (exp database): 343 deg C VP (exp database): 4.62E-06 mm Hg at 25 deg C Subcooled liquid VP: 6.04E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.409e-006 log Kow used: 10.16 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.0019 mg/L (25 deg C) Exper. Ref: MACKAY,D & SHIU,WY (1981) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.7651e-007 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: MACKAY,D & SHIU,WY (1981) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.02E+001 atm-m3/mole Group Method: 2.13E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.225E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.16 (KowWin est) Log Kaw used: 3.567 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.593 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8299 Biowin2 (Non-Linear Model) : 0.9361 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1714 (weeks ) Biowin4 (Primary Survey Model) : 3.9782 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7618 Biowin6 (MITI Non-Linear Model): 0.8946 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5093 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6017 BioHC Half-Life (days) : 39.9638 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000805 Pa (6.04E-006 mm Hg) Log Koa (Koawin est ): 6.593 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00373 Octanol/air (Koa) model: 9.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.119 Mackay model : 0.23 Octanol/air (Koa) model: 7.69E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.2410 E-12 cm3/molecule-sec Half-Life = 0.424 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.085 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.852E+005 Log Koc: 5.895 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: 10.16 (estimated) Volatilization from Water: Henry LC: 90.2 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.715 hours Half-Life from Model Lake : 159.7 hours (6.653 days) Removal In Wastewater Treatment: Total removal: 94.65 percent Total biodegradation: 0.72 percent Total sludge adsorption: 89.79 percent Total to Air: 4.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.344 10.2 1000 Water 3.74 360 1000 Soil 27.8 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
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