- Double-bond stereo
(1E,4E,7E)-1,7-Dimethyl-1,4,7-cyclodecatriene
C/C/1=C\C/C=C/C/C(=C/CC1)/C
InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3+,11-9+,12-8+
HJFJPKDXNZHKGG-LFVGHESCSA-N
CSID:4478717, http://www.chemspider.com/Chemical-Structure.4478717.html (accessed 20:50, Apr 19, 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) = 5.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 230.93 (Adapted Stein & Brown method) Melting Pt (deg C): -1.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.115 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3269 log Kow used: 5.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.229 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.95E-001 atm-m3/mole Group Method: 3.08E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.512E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.59 (KowWin est) Log Kaw used: 1.454 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.136 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6703 Biowin2 (Non-Linear Model) : 0.6692 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8406 (weeks ) Biowin4 (Primary Survey Model) : 3.6136 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3339 Biowin6 (MITI Non-Linear Model): 0.2573 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0972 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6245 BioHC Half-Life (days) : 4.2124 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 14.5 Pa (0.109 mm Hg) Log Koa (Koawin est ): 4.136 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.06E-007 Octanol/air (Koa) model: 3.36E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.46E-006 Mackay model : 1.65E-005 Octanol/air (Koa) model: 2.69E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 234.6376 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.547 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 106.000000 E-17 cm3/molecule-sec Half-Life = 0.011 Days (at 7E11 mol/cm3) Half-Life = 15.568 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.2E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5022 Log Koc: 3.701 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 = 3.604 (BCF = 4018) log Kow used: 5.59 (estimated) Volatilization from Water: Henry LC: 0.0308 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.324 hours Half-Life from Model Lake : 121.3 hours (5.053 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.37 percent Total biodegradation: 0.42 percent Total sludge adsorption: 70.24 percent Total to Air: 24.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0227 0.21 1000 Water 9.48 360 1000 Soil 55 720 1000 Sediment 35.5 3.24e+003 0 Persistence Time: 609 hr
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