Try beta.chemspider
- Double-bond stereo
(5E)-6,10-Dimethyl-1,5,9-undecatriene
CC(=CCC/C(=C/CCC=C)/C)C
InChI=1S/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,9-10H,1,6-8,11H2,2-4H3/b13-10+
VHIVJUNIYOCPSI-JLHYYAGUSA-N
CSID:5020987, http://www.chemspider.com/Chemical-Structure.5020987.html (accessed 15:10, Apr 26, 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) = 6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 224.82 (Adapted Stein & Brown method) Melting Pt (deg C): -29.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.156 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.07178 log Kow used: 6.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2208 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E+000 atm-m3/mole Group Method: 3.79E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.099E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: 1.860 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.410 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6627 Biowin2 (Non-Linear Model) : 0.6169 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8051 (weeks ) Biowin4 (Primary Survey Model) : 3.5905 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4115 Biowin6 (MITI Non-Linear Model): 0.3311 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3337 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4315 BioHC Half-Life (days) : 2.7011 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 19.5 Pa (0.146 mm Hg) Log Koa (Koawin est ): 4.410 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54E-007 Octanol/air (Koa) model: 6.31E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.57E-006 Mackay model : 1.23E-005 Octanol/air (Koa) model: 5.05E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.1033 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.626 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 87.199997 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.925 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 8.95E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7961 Log Koc: 3.901 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 = 4.129 (BCF = 1.347e+004) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 0.379 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.365 hours Half-Life from Model Lake : 126.9 hours (5.286 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.51 percent Total biodegradation: 0.30 percent Total sludge adsorption: 66.17 percent Total to Air: 32.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0169 0.252 1000 Water 5.82 360 1000 Soil 35.5 720 1000 Sediment 58.6 3.24e+003 0 Persistence Time: 896 hr
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