Try beta.chemspider
- Double-bond stereo
(6E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,14,18,22-tetracosapentaene-10,11-diol
CC(=CCC/C(=C/CC/C(=C/CCC(C(C)(CC/C=C(\C)/CCC=C(C)C)O)O)/C)/C)C
InChI=1S/C30H52O2/c1-24(2)14-9-16-26(5)18-11-19-27(6)20-12-22-29(31)30(8,32)23-13-21-28(7)17-10-15-25(3)4/h14-15,18,20-21,29,31-32H,9-13,16-17,19,22-23H2,1-8H3/b26-18+,27-20+,28-21+
DKVIPPGREJURCX-JSFDVHLOSA-N
CSID:4517955, http://www.chemspider.com/Chemical-Structure.4517955.html (accessed 15:54, May 10, 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) = 11.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 507.89 (Adapted Stein & Brown method) Melting Pt (deg C): 175.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.21E-013 (Modified Grain method) Subcooled liquid VP: 3.37E-011 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): 2.105e-007 log Kow used: 11.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0002556 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.40E-004 atm-m3/mole Group Method: 1.73E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.560E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.57 (KowWin est) Log Kaw used: -1.745 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.315 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5106 Biowin2 (Non-Linear Model) : 0.0196 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1642 (months ) Biowin4 (Primary Survey Model) : 3.1821 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0955 Biowin6 (MITI Non-Linear Model): 0.0119 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2755 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): 4.49E-009 Pa (3.37E-011 mm Hg) Log Koa (Koawin est ): 13.315 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 668 Octanol/air (Koa) model: 5.07 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 482.9544 E-12 cm3/molecule-sec Half-Life = 0.022 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.946 Min Ozone Reaction: OVERALL Ozone Rate Constant = 215.000000 E-17 cm3/molecule-sec Half-Life = 0.005 Days (at 7E11 mol/cm3) Half-Life = 7.676 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.358E+005 Log Koc: 5.526 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: 11.57 (estimated) Volatilization from Water: Henry LC: 0.00044 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.958 hours Half-Life from Model Lake : 230.9 hours (9.622 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00105 0.103 1000 Water 1.39 1.44e+003 1000 Soil 29.7 2.88e+003 1000 Sediment 68.9 1.3e+004 0 Persistence Time: 4.68e+003 hr
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