2-Butyne
CC#CC
InChI=1S/C4H6/c1-3-4-2/h1-2H3
XNMQEEKYCVKGBD-UHFFFAOYSA-N
CSID:9990, http://www.chemspider.com/Chemical-Structure.9990.html (accessed 05:01, 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) = 1.59 Log Kow (Exper. database match) = 1.46 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 38.81 (Adapted Stein & Brown method) Melting Pt (deg C): -61.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 711 (Mean VP of Antoine & Grain methods) MP (exp database): -32.3 deg C BP (exp database): 26.9 deg C VP (exp database): 7.06E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2246 log Kow used: 1.46 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5942.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-002 atm-m3/mole Group Method: 5.11E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.253E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.46 (exp database) Log Kaw used: -0.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.815 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7218 Biowin2 (Non-Linear Model) : 0.9038 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0796 (weeks ) Biowin4 (Primary Survey Model) : 3.7697 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5520 Biowin6 (MITI Non-Linear Model): 0.7316 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.2960 BioHC Half-Life (days) : 1.9770 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.41E+004 Pa (706 mm Hg) Log Koa (Koawin est ): 1.815 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.19E-011 Octanol/air (Koa) model: 1.6E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.15E-009 Mackay model : 2.55E-009 Octanol/air (Koa) model: 1.28E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.2720 E-12 cm3/molecule-sec Half-Life = 0.392 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.706 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): 1.85E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.79 Log Koc: 1.641 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 = 0.424 (BCF = 2.656) log Kow used: 1.46 (expkow database) Volatilization from Water: Henry LC: 0.00511 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 0.8348 hours (50.09 min) Half-Life from Model Lake : 70.77 hours (2.949 days) Removal In Wastewater Treatment: Total removal: 67.13 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.83 percent Total to Air: 66.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.6 9.36 1000 Water 76.7 360 1000 Soil 11.6 720 1000 Sediment 0.179 3.24e+003 0 Persistence Time: 82.8 hr
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