5-Decyne
CCCCC#CCCCC
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
JWBQJUFCNOLNNC-UHFFFAOYSA-N
CSID:15222, http://www.chemspider.com/Chemical-Structure.15222.html (accessed 02:46, Apr 18, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.90 (Adapted Stein & Brown method) Melting Pt (deg C): 13.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52 (Mean VP of Antoine & Grain methods) MP (exp database): -73 deg C BP (exp database): 177 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.301 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1072 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.89E-002 atm-m3/mole Group Method: 7.73E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.377E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: 0.382 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.158 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8986 Biowin2 (Non-Linear Model) : 0.9913 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4903 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1864 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5982 Biowin6 (MITI Non-Linear Model): 0.7596 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1974 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6944 BioHC Half-Life (days) : 4.9477 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 185 Pa (1.39 mm Hg) Log Koa (Koawin est ): 4.158 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-008 Octanol/air (Koa) model: 3.53E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-007 Mackay model : 1.29E-006 Octanol/air (Koa) model: 2.83E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.7559 E-12 cm3/molecule-sec Half-Life = 0.308 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.693 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): 9.4E-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 = 2.793 (BCF = 621.6) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 0.0773 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.209 hours Half-Life from Model Lake : 111.8 hours (4.658 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.67 percent Total biodegradation: 0.13 percent Total sludge adsorption: 35.99 percent Total to Air: 61.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.81 7.38 1000 Water 24.8 208 1000 Soil 65.9 416 1000 Sediment 6.49 1.87e+003 0 Persistence Time: 196 hr
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