Try beta.chemspider
- 2 of 2 defined stereocentres
[(1R,2S)-3,3-Dichloro-1,2-cyclopropanediyl]bis(methylene) dicyclopropanecarboxylate
O=C(OC[C@@H]2[C@H](COC(=O)C1CC1)C2(Cl)Cl)C3CC3
InChI=1S/C13H16Cl2O4/c14-13(15)9(5-18-11(16)7-1-2-7)10(13)6-19-12(17)8-3-4-8/h7-10H,1-6H2/t9-,10+
LXROGSZAJRCUFI-AOOOYVTPSA-N
CSID:6025501, http://www.chemspider.com/Chemical-Structure.6025501.html (accessed 06:23, Jun 1, 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) = 3.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.34 (Adapted Stein & Brown method) Melting Pt (deg C): 58.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000395 (Modified Grain method) Subcooled liquid VP: 0.000816 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): 9.157 log Kow used: 3.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6312 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.28E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.744E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.61 (KowWin est) Log Kaw used: -5.757 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.367 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5430 Biowin2 (Non-Linear Model) : 0.7985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2423 (months ) Biowin4 (Primary Survey Model) : 3.5078 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7831 Biowin6 (MITI Non-Linear Model): 0.2608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5460 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): 0.109 Pa (0.000816 mm Hg) Log Koa (Koawin est ): 9.367 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-005 Octanol/air (Koa) model: 0.000571 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000995 Mackay model : 0.0022 Octanol/air (Koa) model: 0.0437 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.8550 E-12 cm3/molecule-sec Half-Life = 2.775 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 33.295 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0016 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 616.7 Log Koc: 2.790 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.347E-002 L/mol-sec Kb Half-Life at pH 8: 1.631 years Kb Half-Life at pH 7: 16.307 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.432 (BCF = 2.704) log Kow used: 3.61 (estimated) Volatilization from Water: Henry LC: 4.28E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.398E+004 hours (999.1 days) Half-Life from Model Lake : 2.617E+005 hours (1.09E+004 days) Removal In Wastewater Treatment: Total removal: 15.79 percent Total biodegradation: 0.21 percent Total sludge adsorption: 15.58 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 0.164 66.6 1000 Water 9.89 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 1.12 1.3e+004 0 Persistence Time: 2.53e+003 hr
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