Try beta.chemspider
4-Chlorobutyl carbamate
C(CCCl)COC(=O)N
InChI=1S/C5H10ClNO2/c6-3-1-2-4-9-5(7)8/h1-4H2,(H2,7,8)
HPBNDYJXVSJPTQ-UHFFFAOYSA-N
CSID:293882, http://www.chemspider.com/Chemical-Structure.293882.html (accessed 12:03, Aug 5, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 217.06 (Adapted Stein & Brown method) Melting Pt (deg C): 20.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.152 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6818 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7574.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.447E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -5.875 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.095 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6435 Biowin2 (Non-Linear Model) : 0.5032 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6443 (weeks-months) Biowin4 (Primary Survey Model) : 3.7220 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4164 Biowin6 (MITI Non-Linear Model): 0.4127 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9254 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): 18.8 Pa (0.141 mm Hg) Log Koa (Koawin est ): 7.095 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.6E-007 Octanol/air (Koa) model: 3.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.76E-006 Mackay model : 1.28E-005 Octanol/air (Koa) model: 0.000244 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.4775 E-12 cm3/molecule-sec Half-Life = 1.021 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.250 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.26E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 73.98 Log Koc: 1.869 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.602E-005 L/mol-sec Kb Half-Life at pH 8: 332.653 years Kb Half-Life at pH 7: 3326.534 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.237 (BCF = 1.727) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 3.26E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.211E+004 hours (921.4 days) Half-Life from Model Lake : 2.413E+005 hours (1.006E+004 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 0.325 24.5 1000 Water 39.6 900 1000 Soil 60 1.8e+003 1000 Sediment 0.0887 8.1e+003 0 Persistence Time: 946 hr
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