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1-Decyne
CCCCCCCCC#C
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
ILLHQJIJCRNRCJ-UHFFFAOYSA-N
CSID:12456, http://www.chemspider.com/Chemical-Structure.12456.html (accessed 15:05, Apr 23, 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) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 172.07 (Adapted Stein & Brown method) Melting Pt (deg C): -18.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.74 (Mean VP of Antoine & Grain methods) MP (exp database): -44 deg C BP (exp database): 174 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.686 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.5416 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-001 atm-m3/mole Group Method: 1.73E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.588E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: 0.680 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.800 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7902 Biowin2 (Non-Linear Model) : 0.9473 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1920 (weeks ) Biowin4 (Primary Survey Model) : 3.9173 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6472 Biowin6 (MITI Non-Linear Model): 0.8264 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6207 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8577 BioHC Half-Life (days) : 7.2059 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 212 Pa (1.59 mm Hg) Log Koa (Koawin est ): 3.800 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-008 Octanol/air (Koa) model: 1.55E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.11E-007 Mackay model : 1.13E-006 Octanol/air (Koa) model: 1.24E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.5302 E-12 cm3/molecule-sec Half-Life = 0.647 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.765 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 8.22E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1724 Log Koc: 3.236 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 = 1.750 (BCF = 56.26) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 0.173 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.204 hours Half-Life from Model Lake : 111.7 hours (4.655 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.90 percent Total biodegradation: 0.11 percent Total sludge adsorption: 33.23 percent Total to Air: 65.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.68 15.5 1000 Water 31 360 1000 Soil 51 720 1000 Sediment 11.3 3.24e+003 0 Persistence Time: 197 hr
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