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8-Methyl-2-methylenenonanoic acid
CC(C)CCCCCC(=C)C(=O)O
InChI=1S/C11H20O2/c1-9(2)7-5-4-6-8-10(3)11(12)13/h9H,3-8H2,1-2H3,(H,12,13)
CKUYHOSTLVBVQP-UHFFFAOYSA-N
CSID:150512, http://www.chemspider.com/Chemical-Structure.150512.html (accessed 21:39, Jul 6, 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) = 4.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 279.54 (Adapted Stein & Brown method) Melting Pt (deg C): 60.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00271 (Modified Grain method) Subcooled liquid VP: 0.00574 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): 24.97 log Kow used: 4.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.041 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 : 3.29E-006 atm-m3/mole Group Method: 1.20E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.632E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.35 (KowWin est) Log Kaw used: -3.871 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7325 Biowin2 (Non-Linear Model) : 0.7379 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1565 (weeks ) Biowin4 (Primary Survey Model) : 3.9674 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5547 Biowin6 (MITI Non-Linear Model): 0.6187 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6808 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): 0.765 Pa (0.00574 mm Hg) Log Koa (Koawin est ): 8.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.92E-006 Octanol/air (Koa) model: 4.08E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000142 Mackay model : 0.000313 Octanol/air (Koa) model: 0.00326 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.0318 E-12 cm3/molecule-sec Half-Life = 0.382 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.579 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.000228 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 120.8 Log Koc: 2.082 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: 4.35 (estimated) Volatilization from Water: Henry LC: 1.2E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 67.62 hours (2.817 days) Half-Life from Model Lake : 851.5 hours (35.48 days) Removal In Wastewater Treatment: Total removal: 48.21 percent Total biodegradation: 0.46 percent Total sludge adsorption: 47.42 percent Total to Air: 0.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.617 6.64 1000 Water 22.2 360 1000 Soil 71.1 720 1000 Sediment 6.09 3.24e+003 0 Persistence Time: 487 hr
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