Try beta.chemspider
8-Pentadecanol
CCCCCCCC(CCCCCCC)O
InChI=1S/C15H32O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
AXCJQGZCVXCVAG-UHFFFAOYSA-N
CSID:66852, http://www.chemspider.com/Chemical-Structure.66852.html (accessed 18:48, May 21, 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) = 6.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 304.75 (Adapted Stein & Brown method) Melting Pt (deg C): 39.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.33E-005 (Modified Grain method) Subcooled liquid VP: 9.95E-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): 0.5407 log Kow used: 6.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.39256 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.25E-004 atm-m3/mole Group Method: 7.22E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.074E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.17 (KowWin est) Log Kaw used: -2.036 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.206 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0144 Biowin2 (Non-Linear Model) : 0.9898 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4510 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1858 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7369 Biowin6 (MITI Non-Linear Model): 0.8838 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3203 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): 0.0133 Pa (9.95E-005 mm Hg) Log Koa (Koawin est ): 8.206 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000226 Octanol/air (Koa) model: 3.94E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0081 Mackay model : 0.0178 Octanol/air (Koa) model: 0.00315 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.1753 E-12 cm3/molecule-sec Half-Life = 0.394 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.723 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0129 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1802 Log Koc: 3.256 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 = 2.551 (BCF = 355.3) log Kow used: 6.17 (estimated) Volatilization from Water: Henry LC: 0.000225 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.475 hours Half-Life from Model Lake : 186.5 hours (7.769 days) Removal In Wastewater Treatment: Total removal: 92.78 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.87 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.837 9.45 1000 Water 9.12 208 1000 Soil 39 416 1000 Sediment 51.1 1.87e+003 0 Persistence Time: 515 hr
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