- Double-bond stereo
(2E)-2-Decenoic acid
CCCCCCC/C=C/C(=O)O
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
WXBXVVIUZANZAU-CMDGGOBGSA-N
CSID:4445851, http://www.chemspider.com/Chemical-Structure.4445851.html (accessed 07:21, Mar 26, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.62 (Adapted Stein & Brown method) Melting Pt (deg C): 68.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00464 (Modified Grain method) MP (exp database): 12 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 86.48 log Kow used: 3.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47.029 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 : 2.48E-006 atm-m3/mole Group Method: 1.09E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.202E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.80 (KowWin est) Log Kaw used: -3.994 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.794 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8476 Biowin2 (Non-Linear Model) : 0.9560 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4859 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2567 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6961 Biowin6 (MITI Non-Linear Model): 0.8020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6344 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): 0.619 Pa (0.00464 mm Hg) Log Koa (Koawin est ): 7.794 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.85E-006 Octanol/air (Koa) model: 1.53E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000175 Mackay model : 0.000388 Octanol/air (Koa) model: 0.00122 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.3771 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 31.0371 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 4.523 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 4.135 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.568750 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.015 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.007 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.000281 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 87.16 Log Koc: 1.940 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: 3.80 (estimated) Volatilization from Water: Henry LC: 1.09E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 702.2 hours (29.26 days) Half-Life from Model Lake : 7770 hours (323.7 days) Removal In Wastewater Treatment: Total removal: 21.88 percent Total biodegradation: 0.25 percent Total sludge adsorption: 21.58 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.12 7.62 1000 Water 26.7 208 1000 Soil 70.7 416 1000 Sediment 1.45 1.87e+003 0 Persistence Time: 288 hr
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