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Cyclopropyl carbonochloridate
C1CC1OC(=O)Cl
InChI=1S/C4H5ClO2/c5-4(6)7-3-1-2-3/h3H,1-2H2
JPMJNRPHIMXRAP-UHFFFAOYSA-N
CSID:14505695, http://www.chemspider.com/Chemical-Structure.14505695.html (accessed 14:23, 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 118.13 (Adapted Stein & Brown method) Melting Pt (deg C): -46.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.597e+004 log Kow used: 0.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26834 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.83E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.688E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.93 (KowWin est) Log Kaw used: -1.126 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.056 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6902 Biowin2 (Non-Linear Model) : 0.7853 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9328 (weeks ) Biowin4 (Primary Survey Model) : 3.6738 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4054 Biowin6 (MITI Non-Linear Model): 0.3520 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6355 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.12E+003 Pa (15.9 mm Hg) Log Koa (Koawin est ): 2.056 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-009 Octanol/air (Koa) model: 2.79E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.11E-008 Mackay model : 1.13E-007 Octanol/air (Koa) model: 2.23E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1504 E-12 cm3/molecule-sec Half-Life = 71.097 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.22E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.85 Log Koc: 1.172 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 = 0.500 (BCF = 3.162) log Kow used: 0.93 (estimated) Volatilization from Water: Henry LC: 0.00183 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.472 hours Half-Life from Model Lake : 108.1 hours (4.505 days) Removal In Wastewater Treatment: Total removal: 43.47 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.14 percent Total to Air: 42.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 47.2 1.71e+003 1000 Water 42.4 360 1000 Soil 10.3 720 1000 Sediment 0.0839 3.24e+003 0 Persistence Time: 160 hr
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