1-Octadecene
CCCCCCCCCCCCCCCCC=C
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
CCCMONHAUSKTEQ-UHFFFAOYSA-N
CSID:7925, http://www.chemspider.com/Chemical-Structure.7925.html (accessed 08:44, Dec 11, 2023)
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) = 9.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 306.27 (Adapted Stein & Brown method) Melting Pt (deg C): 29.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00261 (Modified Grain method) MP (exp database): 17.5 deg C BP (exp database): 179 @ 15 mm Hg deg C VP (exp database): 6.75E-05 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001256 log Kow used: 9.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.793e-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 : 1.07E+001 atm-m3/mole Group Method: 3.38E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.904E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.04 (KowWin est) Log Kaw used: 2.641 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.399 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7358 Biowin2 (Non-Linear Model) : 0.7802 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9395 (weeks ) Biowin4 (Primary Survey Model) : 3.7525 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7212 Biowin6 (MITI Non-Linear Model): 0.8562 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6081 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3690 BioHC Half-Life (days) : 23.3874 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.009 Pa (6.75E-005 mm Hg) Log Koa (Koawin est ): 6.399 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000333 Octanol/air (Koa) model: 6.15E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0119 Mackay model : 0.026 Octanol/air (Koa) model: 4.92E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.1346 E-12 cm3/molecule-sec Half-Life = 0.227 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.723 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.0189 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.308E+005 Log Koc: 5.363 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 = 0.509 (BCF = 3.226) log Kow used: 9.04 (estimated) Volatilization from Water: Henry LC: 10.7 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.622 hours Half-Life from Model Lake : 150.9 hours (6.289 days) Removal In Wastewater Treatment: Total removal: 94.95 percent Total biodegradation: 0.69 percent Total sludge adsorption: 88.14 percent Total to Air: 6.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.162 4.4 1000 Water 3.75 360 1000 Soil 27.9 720 1000 Sediment 68.2 3.24e+003 0 Persistence Time: 1.24e+003 hr
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