- Charge
2,4-Dimethyltetradecanoate
CCCCCCCCCCC(C)CC(C)C(=O)[O-]
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)/p-1
ZFUWGIZDTXJFSP-UHFFFAOYSA-M
CSID:15855802, http://www.chemspider.com/Chemical-Structure.15855802.html (accessed 11:01, Mar 29, 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) = 6.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.78 (Adapted Stein & Brown method) Melting Pt (deg C): 107.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.72E-005 (Modified Grain method) Subcooled liquid VP: 0.000175 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): 0.08184 log Kow used: 6.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.28049 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-005 atm-m3/mole Group Method: 6.89E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.121E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.82 (KowWin est) Log Kaw used: -2.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.748 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8066 Biowin2 (Non-Linear Model) : 0.8646 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2954 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1324 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5245 Biowin6 (MITI Non-Linear Model): 0.6013 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3946 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): 0.0233 Pa (0.000175 mm Hg) Log Koa (Koawin est ): 9.748 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000129 Octanol/air (Koa) model: 0.00137 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00462 Mackay model : 0.0102 Octanol/air (Koa) model: 0.099 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.6128 E-12 cm3/molecule-sec Half-Life = 0.545 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.544 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0074 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2701 Log Koc: 3.432 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 = 1.750 (BCF = 56.23) log Kow used: 6.82 (estimated) Volatilization from Water: Henry LC: 6.89E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 15.24 hours Half-Life from Model Lake : 300.5 hours (12.52 days) Removal In Wastewater Treatment: Total removal: 93.75 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.96 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 0.84 13.1 1000 Water 6.62 208 1000 Soil 31.7 416 1000 Sediment 60.8 1.87e+003 0 Persistence Time: 632 hr
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