1,19-Icosadiene
C=CCCCCCCCCCCCCCCCCC=C
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-20H2
AWJFCAXSGQLCKK-UHFFFAOYSA-N
CSID:452739, http://www.chemspider.com/Chemical-Structure.452739.html (accessed 13:29, Jun 5, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 9.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 332.12 (Adapted Stein & Brown method) Melting Pt (deg C): 48.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000419 (Modified Grain method) Subcooled liquid VP: 0.000694 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): 1.697e-005 log Kow used: 9.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.599e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.90E+000 atm-m3/mole Group Method: 2.13E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.049E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.89 (KowWin est) Log Kaw used: 2.561 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.329 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6149 Biowin2 (Non-Linear Model) : 0.2796 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5837 (weeks-months) Biowin4 (Primary Survey Model) : 3.4459 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7113 Biowin6 (MITI Non-Linear Model): 0.8217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8108 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5124 BioHC Half-Life (days) : 32.5350 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0925 Pa (0.000694 mm Hg) Log Koa (Koawin est ): 7.329 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.24E-005 Octanol/air (Koa) model: 5.24E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00117 Mackay model : 0.00259 Octanol/air (Koa) model: 0.000419 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 74.6803 E-12 cm3/molecule-sec Half-Life = 0.143 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.719 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 0.00188 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.852E+005 Log Koc: 5.895 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: 9.89 (estimated) Volatilization from Water: Henry LC: 21.3 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.703 hours Half-Life from Model Lake : 158.5 hours (6.605 days) Removal In Wastewater Treatment: Total removal: 94.32 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.64 percent Total to Air: 1.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0397 2.64 1000 Water 1.91 900 1000 Soil 27.9 1.8e+003 1000 Sediment 70.2 8.1e+003 0 Persistence Time: 3.09e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight