Try beta.chemspider
- Charge
1-(Methoxycarbonyl)cyclopropanaminium
O=C(OC)C1([NH3+])CC1
InChI=1S/C5H9NO2/c1-8-4(7)5(6)2-3-5/h2-3,6H2,1H3/p+1
CSHMCEYIMFSLSS-UHFFFAOYSA-O
CSID:5294286, http://www.chemspider.com/Chemical-Structure.5294286.html (accessed 04:34, Apr 25, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.35 (Adapted Stein & Brown method) Melting Pt (deg C): 133.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-005 (Modified Grain method) Subcooled liquid VP: 0.000161 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -2.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21363 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.59E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.002E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.82 (KowWin est) Log Kaw used: -11.975 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.155 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6825 Biowin2 (Non-Linear Model) : 0.9762 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8706 (weeks ) Biowin4 (Primary Survey Model) : 3.7557 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8086 Biowin6 (MITI Non-Linear Model): 0.9408 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0836 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): 0.0215 Pa (0.000161 mm Hg) Log Koa (Koawin est ): 9.155 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00014 Octanol/air (Koa) model: 0.000351 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00502 Mackay model : 0.0111 Octanol/air (Koa) model: 0.0273 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2741 E-12 cm3/molecule-sec Half-Life = 39.019 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00804 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.844 Log Koc: 0.454 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 = 0.500 (BCF = 3.162) log Kow used: -2.82 (estimated) Volatilization from Water: Henry LC: 2.59E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.436E+010 hours (1.015E+009 days) Half-Life from Model Lake : 2.658E+011 hours (1.107E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.14e-007 936 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight