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Tetradecane
CCCCCCCCCCCCCC
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
BGHCVCJVXZWKCC-UHFFFAOYSA-N
CSID:11883, http://www.chemspider.com/Chemical-Structure.11883.html (accessed 00:03, May 10, 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) = 7.22 Log Kow (Exper. database match) = 7.20 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 243.20 (Adapted Stein & Brown method) Melting Pt (deg C): 1.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0369 (Mean VP of Antoine & Grain methods) MP (exp database): 5.8 deg C BP (exp database): 253.5 deg C VP (exp database): 1.16E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.009192 log Kow used: 7.20 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.0022 mg/L (25 deg C) Exper. Ref: SUTTON,C & CALDER,JA (1974) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00090926 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: SUTTON,C & CALDER,JA (1974) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E+001 atm-m3/mole Group Method: 2.68E+001 atm-m3/mole Exper Database: 9.20E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.048E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.20 (exp database) Log Kaw used: 2.575 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.625 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8700 Biowin2 (Non-Linear Model) : 0.9797 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3574 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0996 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7157 Biowin6 (MITI Non-Linear Model): 0.8799 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3534 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2033 BioHC Half-Life (days) : 15.9683 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.55 Pa (0.0116 mm Hg) Log Koa (Koawin est ): 4.625 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-006 Octanol/air (Koa) model: 1.04E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.01E-005 Mackay model : 0.000155 Octanol/air (Koa) model: 8.28E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.7627 E-12 cm3/molecule-sec Half-Life = 0.638 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.657 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.995E+004 Log Koc: 4.300 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 = 3.036 (BCF = 1086) log Kow used: 7.20 (expkow database) Volatilization from Water: Henry LC: 9.2 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.437 hours Half-Life from Model Lake : 133.8 hours (5.574 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.48 percent Total biodegradation: 0.23 percent Total sludge adsorption: 62.64 percent Total to Air: 36.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.999 13.4 1000 Water 6.27 208 1000 Soil 28.2 416 1000 Sediment 64.6 1.87e+003 0 Persistence Time: 621 hr
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