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13-Tetradecen-1-yl hydrogen sulfate
C=CCCCCCCCCCCCCOS(=O)(=O)O
InChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2H,1,3-14H2,(H,15,16,17)
JYFRFHUSIIONGN-UHFFFAOYSA-N
CSID:93223, http://www.chemspider.com/Chemical-Structure.93223.html (accessed 05:50, May 14, 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) = 3.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 410.17 (Adapted Stein & Brown method) Melting Pt (deg C): 152.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.67E-009 (Modified Grain method) Subcooled liquid VP: 9.3E-008 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): 22.01 log Kow used: 3.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3561.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.41E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.164E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.27 (KowWin est) Log Kaw used: -5.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.276 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6083 Biowin2 (Non-Linear Model) : 0.2416 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5529 (weeks-months) Biowin4 (Primary Survey Model) : 3.4258 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4537 Biowin6 (MITI Non-Linear Model): 0.3369 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9274 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.24E-005 Pa (9.3E-008 mm Hg) Log Koa (Koawin est ): 8.276 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.242 Octanol/air (Koa) model: 4.63E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.897 Mackay model : 0.951 Octanol/air (Koa) model: 0.00369 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.5235 E-12 cm3/molecule-sec Half-Life = 0.252 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.018 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.924 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.477E+004 Log Koc: 4.541 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 = 1.850 (BCF = 70.79) log Kow used: 3.27 (estimated) Volatilization from Water: Henry LC: 2.41E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4156 hours (173.2 days) Half-Life from Model Lake : 4.548E+004 hours (1895 days) Removal In Wastewater Treatment: Total removal: 8.78 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.61 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 0.158 4.78 1000 Water 17.1 900 1000 Soil 82 1.8e+003 1000 Sediment 0.722 8.1e+003 0 Persistence Time: 1.16e+003 hr
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