Try beta.chemspider
- Double-bond stereo
(2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenoic acid
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/C)/C)C
InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+
SZNLKILVMCHHSD-OZFNKYQOSA-N
CSID:4439625, http://www.chemspider.com/Chemical-Structure.4439625.html (accessed 15:45, Jun 16, 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) = 8.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.88 (Adapted Stein & Brown method) Melting Pt (deg C): 125.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.67E-007 (Modified Grain method) Subcooled liquid VP: 5.65E-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): 0.002383 log Kow used: 8.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.028322 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 : 5.57E-005 atm-m3/mole Group Method: 6.29E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.532E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.29 (KowWin est) Log Kaw used: -2.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.933 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6753 Biowin2 (Non-Linear Model) : 0.3381 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8909 (weeks ) Biowin4 (Primary Survey Model) : 3.7940 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3108 Biowin6 (MITI Non-Linear Model): 0.0877 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4868 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000753 Pa (5.65E-006 mm Hg) Log Koa (Koawin est ): 10.933 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00398 Octanol/air (Koa) model: 0.021 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.126 Mackay model : 0.242 Octanol/air (Koa) model: 0.627 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 299.2079 E-12 cm3/molecule-sec Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.738 Min Ozone Reaction: OVERALL Ozone Rate Constant = 136.393753 E-17 cm3/molecule-sec Half-Life = 0.008 Days (at 7E11 mol/cm3) Half-Life = 12.099 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.184 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.254E+004 Log Koc: 4.353 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: 8.29 (estimated) Volatilization from Water: Henry LC: 6.29E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1626 hours (67.75 days) Half-Life from Model Lake : 1.788E+004 hours (745.2 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 0.00633 0.163 1000 Water 3.77 360 1000 Soil 28.1 720 1000 Sediment 68.2 3.24e+003 0 Persistence Time: 1.24e+003 hr
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