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Cyclopropene
C1C=C1
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2
OOXWYYGXTJLWHA-UHFFFAOYSA-N
CSID:109788, http://www.chemspider.com/Chemical-Structure.109788.html (accessed 22:14, Jan 16, 2025)
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) = 1.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 8.51 (Adapted Stein & Brown method) Melting Pt (deg C): -117.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.34E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1995 log Kow used: 1.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 869.99 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.83E-002 atm-m3/mole Group Method: 1.81E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.009E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.49 (KowWin est) Log Kaw used: 0.063 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.427 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7285 Biowin2 (Non-Linear Model) : 0.9198 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1106 (weeks ) Biowin4 (Primary Survey Model) : 3.7899 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6251 Biowin6 (MITI Non-Linear Model): 0.8406 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5690 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5653 BioHC Half-Life (days) : 3.6750 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.79E+005 Pa (1.34E+003 mm Hg) Log Koa (Koawin est ): 1.427 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.68E-011 Octanol/air (Koa) model: 6.56E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.06E-010 Mackay model : 1.34E-009 Octanol/air (Koa) model: 5.25E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.4187 E-12 cm3/molecule-sec Half-Life = 0.190 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.275 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 9.75E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.37 Log Koc: 1.421 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 = 0.445 (BCF = 2.788) log Kow used: 1.49 (estimated) Volatilization from Water: Henry LC: 0.0283 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.659 hours (39.54 min) Half-Life from Model Lake : 60.27 hours (2.511 days) Removal In Wastewater Treatment: Total removal: 91.67 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.45 percent Total to Air: 91.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.87 1.06 1000 Water 94.3 360 1000 Soil 3.65 720 1000 Sediment 0.223 3.24e+003 0 Persistence Time: 65.6 hr
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