Try beta.chemspider
2-Dodecylsuccinic acid
CCCCCCCCCCCCC(CC(=O)O)C(=O)O
InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)
YLAXZGYLWOGCBF-UHFFFAOYSA-N
CSID:56556, http://www.chemspider.com/Chemical-Structure.56556.html (accessed 04:26, Apr 26, 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) = 5.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.68 (Adapted Stein & Brown method) Melting Pt (deg C): 167.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.95E-008 (Modified Grain method) Subcooled liquid VP: 2.32E-006 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): 1.726 log Kow used: 5.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.59219 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-010 atm-m3/mole Group Method: 3.97E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.736E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.07 (KowWin est) Log Kaw used: -8.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8650 Biowin2 (Non-Linear Model) : 0.8881 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5938 (days-weeks ) Biowin4 (Primary Survey Model) : 4.4747 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7651 Biowin6 (MITI Non-Linear Model): 0.8320 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9584 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): 0.000309 Pa (2.32E-006 mm Hg) Log Koa (Koawin est ): 13.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0097 Octanol/air (Koa) model: 4.36 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.259 Mackay model : 0.437 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.5495 E-12 cm3/molecule-sec Half-Life = 0.547 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.565 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.348 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9188 Log Koc: 3.963 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 = 0.750 (BCF = 5.623) log Kow used: 5.07 (estimated) Volatilization from Water: Henry LC: 3.97E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.496E+007 hours (1.04E+006 days) Half-Life from Model Lake : 2.723E+008 hours (1.134E+007 days) Removal In Wastewater Treatment: Total removal: 79.80 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.11 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00149 13.1 1000 Water 15.1 208 1000 Soil 72.5 416 1000 Sediment 12.4 1.87e+003 0 Persistence Time: 524 hr
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