Try beta.chemspider
Methyl cyclopropanecarboxylate
COC(=O)C1CC1
InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
PKAHQJNJPDVTDP-UHFFFAOYSA-N
CSID:68606, http://www.chemspider.com/Chemical-Structure.68606.html (accessed 12:00, Apr 24, 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) = 1.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 106.36 (Adapted Stein & Brown method) Melting Pt (deg C): -59.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.6 (Mean VP of Antoine & Grain methods) BP (exp database): 114.9 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.172e+004 log Kow used: 1.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20607 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-004 atm-m3/mole Group Method: 4.15E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.203E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.17 (KowWin est) Log Kaw used: -2.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.425 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8741 Biowin2 (Non-Linear Model) : 0.9966 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1181 (weeks ) Biowin4 (Primary Survey Model) : 3.9323 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8103 Biowin6 (MITI Non-Linear Model): 0.9202 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7278 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.45E+003 Pa (18.4 mm Hg) Log Koa (Koawin est ): 3.425 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-009 Octanol/air (Koa) model: 6.53E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.42E-008 Mackay model : 9.78E-008 Octanol/air (Koa) model: 5.23E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2923 E-12 cm3/molecule-sec Half-Life = 36.590 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.1E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 12.36 Log Koc: 1.092 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.271E-002 L/mol-sec Kb Half-Life at pH 8: 1.728 years Kb Half-Life at pH 7: 17.278 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = -1.450 (BCF = 0.03552) log Kow used: 1.17 (estimated) Volatilization from Water: Henry LC: 4.15E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 15.14 hours Half-Life from Model Lake : 249 hours (10.38 days) Removal In Wastewater Treatment: Total removal: 4.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 2.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12 878 1000 Water 39.4 360 1000 Soil 48.6 720 1000 Sediment 0.0821 3.24e+003 0 Persistence Time: 344 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight