1-Icosanol
CCCCCCCCCCCCCCCCCCCCO
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
BTFJIXJJCSYFAL-UHFFFAOYSA-N
CSID:11898, http://www.chemspider.com/Chemical-Structure.11898.html (accessed 01:43, Apr 20, 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) = 8.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.87 (Adapted Stein & Brown method) Melting Pt (deg C): 104.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5E-007 (Modified Grain method) MP (exp database): 66.1 deg C BP (exp database): 372 deg C VP (exp database): 4.52E-08 mm Hg at 25 deg C Subcooled liquid VP: 1.15E-007 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): 0.00151 log Kow used: 8.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00063219 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.29E-004 atm-m3/mole Group Method: 2.45E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.301E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.70 (KowWin est) Log Kaw used: -1.420 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.120 Log Koa (experimental database): 12.060 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8726 Biowin2 (Non-Linear Model) : 0.8495 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9977 (weeks ) Biowin4 (Primary Survey Model) : 3.8155 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9244 Biowin6 (MITI Non-Linear Model): 0.9565 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0654 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.53E-005 Pa (1.15E-007 mm Hg) Log Koa (Exp database): 12.060 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.196 Octanol/air (Koa) model: 0.282 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.876 Mackay model : 0.94 Octanol/air (Koa) model: 0.958 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.4988 E-12 cm3/molecule-sec Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.351 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.908 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.381E+004 Log Koc: 4.642 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 = 0.983 (BCF = 9.614) log Kow used: 8.70 (estimated) Volatilization from Water: Henry LC: 0.000929 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.852 hours Half-Life from Model Lake : 176 hours (7.333 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.273 8.7 1000 Water 3.69 360 1000 Soil 29 720 1000 Sediment 67 3.24e+003 0 Persistence Time: 1.27e+003 hr
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