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5-Tetradecanylbenzene
CCCCCCCCCC(CCCC)c1ccccc1
InChI=1S/C20H34/c1-3-5-7-8-9-10-12-16-19(15-6-4-2)20-17-13-11-14-18-20/h11,13-14,17-19H,3-10,12,15-16H2,1-2H3
RAWFVRXBPRHWLJ-UHFFFAOYSA-N
CSID:19436, http://www.chemspider.com/Chemical-Structure.19436.html (accessed 08:08, Jun 7, 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) = 8.85 Log Kow (Exper. database match) = 9.16 Exper. Ref: Sherblom,PM et al. (1992) Log Kow (Exper. database match) = 9.16 Exper. Ref: Sherblom,PM et al. (1992) Log Kow (Exper. database match) = 9.25 Exper. Ref: Sherblom,PM et al. (1992) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.86 (Adapted Stein & Brown method) Melting Pt (deg C): 61.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.39E-005 (Modified Grain method) Subcooled liquid VP: 0.000206 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): 0.0002171 log Kow used: 9.25 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00024559 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.37E-001 atm-m3/mole Group Method: 5.48E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.562E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.25 (exp database) Log Kaw used: 0.986 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.264 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0165 Biowin2 (Non-Linear Model) : 0.9944 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1364 (weeks ) Biowin4 (Primary Survey Model) : 3.9262 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4713 Biowin6 (MITI Non-Linear Model): 0.5567 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0130 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7575 BioHC Half-Life (days) : 57.2081 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0275 Pa (0.000206 mm Hg) Log Koa (Koawin est ): 8.264 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000109 Octanol/air (Koa) model: 4.51E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00393 Mackay model : 0.00866 Octanol/air (Koa) model: 0.00359 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.9106 E-12 cm3/molecule-sec Half-Life = 0.467 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.602 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0063 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.535E+005 Log Koc: 5.877 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: 9.25 (expkow database) Volatilization from Water: Henry LC: 0.548 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.692 hours Half-Life from Model Lake : 157.4 hours (6.558 days) Removal In Wastewater Treatment: Total removal: 94.07 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 percent Total to Air: 0.23 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.373 11.2 1000 Water 3.74 360 1000 Soil 27.9 720 1000 Sediment 68 3.24e+003 0 Persistence Time: 1.24e+003 hr
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