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2-Vinyloctadecanoate
CCCCCCCCCCCCCCCCC(C=C)C(=O)[O-]
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h4,19H,2-3,5-18H2,1H3,(H,21,22)/p-1
OMMMFIJGPKOCGG-UHFFFAOYSA-M
CSID:11218937, http://www.chemspider.com/Chemical-Structure.11218937.html (accessed 06:16, Jun 5, 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) = 8.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.39 (Adapted Stein & Brown method) Melting Pt (deg C): 140.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.5E-007 (Modified Grain method) Subcooled liquid VP: 9.62E-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): 0.0009515 log Kow used: 8.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0014912 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 : 6.69E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.791E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.72 (KowWin est) Log Kaw used: -2.563 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.283 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7808 Biowin2 (Non-Linear Model) : 0.7476 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1759 (weeks ) Biowin4 (Primary Survey Model) : 4.0544 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6790 Biowin6 (MITI Non-Linear Model): 0.7583 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6290 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): 0.00128 Pa (9.62E-006 mm Hg) Log Koa (Koawin est ): 11.283 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00234 Octanol/air (Koa) model: 0.0471 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0779 Mackay model : 0.158 Octanol/air (Koa) model: 0.79 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.7084 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.582 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.118 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.729E+004 Log Koc: 4.572 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 = 1.000 (BCF = 10) log Kow used: 8.72 (estimated) Volatilization from Water: Henry LC: 6.69E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 17.22 hours Half-Life from Model Lake : 335.6 hours (13.98 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.151 4.21 1000 Water 3.74 360 1000 Soil 28.2 720 1000 Sediment 67.9 3.24e+003 0 Persistence Time: 1.25e+003 hr
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