1-Undecene
CCCCCCCCCC=C
InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
DCTOHCCUXLBQMS-UHFFFAOYSA-N
CSID:12635, http://www.chemspider.com/Chemical-Structure.12635.html (accessed 17:48, 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) = 5.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 184.07 (Adapted Stein & Brown method) Melting Pt (deg C): -33.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.731 (Mean VP of Antoine & Grain methods) MP (exp database): -49.2 deg C BP (exp database): 192.7 deg C VP (exp database): 4.93E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3432 log Kow used: 5.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13312 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.48E+000 atm-m3/mole Group Method: 3.01E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.324E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.61 (KowWin est) Log Kaw used: 1.782 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.828 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7825 Biowin2 (Non-Linear Model) : 0.9347 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1565 (weeks ) Biowin4 (Primary Survey Model) : 3.8942 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6674 Biowin6 (MITI Non-Linear Model): 0.8337 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4261 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9042 BioHC Half-Life (days) : 8.0200 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 65.7 Pa (0.493 mm Hg) Log Koa (Koawin est ): 3.828 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.56E-008 Octanol/air (Koa) model: 1.65E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.65E-006 Mackay model : 3.65E-006 Octanol/air (Koa) model: 1.32E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.2432 E-12 cm3/molecule-sec Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.446 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): 2.65E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3179 Log Koc: 3.502 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 = 2.617 (BCF = 414.4) log Kow used: 5.61 (estimated) Volatilization from Water: Henry LC: 1.48 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.268 hours Half-Life from Model Lake : 118 hours (4.916 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.83 percent Total biodegradation: 0.18 percent Total sludge adsorption: 56.94 percent Total to Air: 42.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.1 5.3 1000 Water 13.7 360 1000 Soil 32.2 720 1000 Sediment 53.1 3.24e+003 0 Persistence Time: 421 hr
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