Methyl 2-methylcyclopropanecarboxylate
CC1CC1C(=O)OC
InChI=1S/C6H10O2/c1-4-3-5(4)6(7)8-2/h4-5H,3H2,1-2H3
KHHQNCNOFKTABM-UHFFFAOYSA-N
CSID:473604, http://www.chemspider.com/Chemical-Structure.473604.html (accessed 05:48, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
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 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 123.03 (Adapted Stein & Brown method) Melting Pt (deg C): -50.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 13.7 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4647 log Kow used: 1.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7112.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.81E-004 atm-m3/mole Group Method: 7.05E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.428E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.59 (KowWin est) Log Kaw used: -2.131 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.721 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8674 Biowin2 (Non-Linear Model) : 0.9958 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0871 (weeks ) Biowin4 (Primary Survey Model) : 3.9120 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7617 Biowin6 (MITI Non-Linear Model): 0.8446 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8077 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): 1.69E+003 Pa (12.7 mm Hg) Log Koa (Koawin est ): 3.721 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.77E-009 Octanol/air (Koa) model: 1.29E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.4E-008 Mackay model : 1.42E-007 Octanol/air (Koa) model: 1.03E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4900 E-12 cm3/molecule-sec Half-Life = 21.827 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.03E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 20.43 Log Koc: 1.310 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 = -1.128 (BCF = 0.07447) log Kow used: 1.59 (estimated) Volatilization from Water: Henry LC: 7.05E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.963 hours Half-Life from Model Lake : 198.3 hours (8.261 days) Removal In Wastewater Treatment: Total removal: 5.52 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 percent Total to Air: 3.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.1 524 1000 Water 34.6 360 1000 Soil 53.3 720 1000 Sediment 0.0865 3.24e+003 0 Persistence Time: 346 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight