1-Tridecanol
CCCCCCCCCCCCCO
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
XFRVVPUIAFSTFO-UHFFFAOYSA-N
CSID:7915, http://www.chemspider.com/Chemical-Structure.7915.html (accessed 10:06, 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) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 288.77 (Adapted Stein & Brown method) Melting Pt (deg C): 31.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000237 (Modified Grain method) MP (exp database): 32.5 deg C BP (exp database): 152 @ 14 mm Hg deg C VP (exp database): 4.36E-04 mm Hg at 25 deg C Subcooled liquid VP: 0.000517 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): 4.533 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4366 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.28E-004 atm-m3/mole Group Method: 2.18E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.378E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -2.281 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.541 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9193 Biowin2 (Non-Linear Model) : 0.9579 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2147 (weeks ) Biowin4 (Primary Survey Model) : 3.9572 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8706 Biowin6 (MITI Non-Linear Model): 0.9488 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8834 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): 0.0689 Pa (0.000517 mm Hg) Log Koa (Koawin est ): 7.541 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.35E-005 Octanol/air (Koa) model: 8.53E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00157 Mackay model : 0.00347 Octanol/air (Koa) model: 0.000682 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.6075 E-12 cm3/molecule-sec Half-Life = 0.546 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.546 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00252 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 603.4 Log Koc: 2.781 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 = 2.351 (BCF = 224.3) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 0.000128 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.919 hours Half-Life from Model Lake : 205.1 hours (8.545 days) Removal In Wastewater Treatment: Total removal: 84.60 percent Total biodegradation: 0.71 percent Total sludge adsorption: 83.23 percent Total to Air: 0.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.05 13.1 1000 Water 13.6 360 1000 Soil 58.5 720 1000 Sediment 26.9 3.24e+003 0 Persistence Time: 593 hr
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