1-Heptadecene
CCCCCCCCCCCCCCCC=C
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
ADOBXTDBFNCOBN-UHFFFAOYSA-N
CSID:21723, http://www.chemspider.com/Chemical-Structure.21723.html (accessed 22:13, Mar 28, 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) = 8.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.53 (Adapted Stein & Brown method) Melting Pt (deg C): 14.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00358 (Modified Grain method) MP (exp database): 11.5 deg C BP (exp database): 300 deg C VP (exp database): 4.54E-04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0003941 log Kow used: 8.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00012336 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.09E+000 atm-m3/mole Group Method: 2.39E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.850E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.55 (KowWin est) Log Kaw used: 2.519 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.031 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7425 Biowin2 (Non-Linear Model) : 0.8125 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9705 (weeks ) Biowin4 (Primary Survey Model) : 3.7728 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7135 Biowin6 (MITI Non-Linear Model): 0.8531 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5821 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3026 BioHC Half-Life (days) : 20.0716 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0605 Pa (0.000454 mm Hg) Log Koa (Koawin est ): 6.031 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.96E-005 Octanol/air (Koa) model: 2.64E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00179 Mackay model : 0.00395 Octanol/air (Koa) model: 2.11E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.7215 E-12 cm3/molecule-sec Half-Life = 0.234 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.807 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): 0.00287 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.252E+005 Log Koc: 5.097 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 = 1.181 (BCF = 15.19) log Kow used: 8.55 (estimated) Volatilization from Water: Henry LC: 8.09 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.576 hours Half-Life from Model Lake : 146.7 hours (6.111 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.81 percent Total biodegradation: 0.60 percent Total sludge adsorption: 83.33 percent Total to Air: 11.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.167 4.51 1000 Water 3.76 360 1000 Soil 27.8 720 1000 Sediment 68.3 3.24e+003 0 Persistence Time: 1.23e+003 hr
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