Try beta.chemspider
- Double-bond stereo
(4E,8E)-N-[(3E)-6-(3,3-Dimethyl-2-oxiranyl)-4-methyl-3-hexen-1-yl]-N,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-amine
CC(=CCC/C(=C/CC/C(=C/CCCN(C)CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)C
InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+
QVSSLEUYYYXQOL-HCHGGRKRSA-N
CSID:4943207, http://www.chemspider.com/Chemical-Structure.4943207.html (accessed 00:50, 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) = 10.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 458.98 (Adapted Stein & Brown method) Melting Pt (deg C): 159.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.24E-008 (Modified Grain method) Subcooled liquid VP: 2.94E-007 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): 1.74e-005 log Kow used: 10.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00041809 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.26E-005 atm-m3/mole Group Method: 7.73E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.030E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.62 (KowWin est) Log Kaw used: -2.471 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.091 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1936 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7739 (months ) Biowin4 (Primary Survey Model) : 2.7766 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0020 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4356 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): 3.92E-005 Pa (2.94E-007 mm Hg) Log Koa (Koawin est ): 13.091 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0765 Octanol/air (Koa) model: 3.03 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.734 Mackay model : 0.86 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 449.7516 E-12 cm3/molecule-sec Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.123 Min Ozone Reaction: OVERALL Ozone Rate Constant = 172.000000 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 9.594 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.797 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.597E+006 Log Koc: 6.748 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.447E+000 L/mol-sec Ka Half-Life at pH 7: 55.430 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 10.62 (estimated) Volatilization from Water: Henry LC: 8.26E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 16.81 hours Half-Life from Model Lake : 357.2 hours (14.88 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 0.00128 0.125 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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