Try beta.chemspider
Propyl carbamate
CCCOC(=O)N
InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
YNTOKMNHRPSGFU-UHFFFAOYSA-N
CSID:11803, http://www.chemspider.com/Chemical-Structure.11803.html (accessed 15:48, Jul 27, 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) = 0.47 Log Kow (Exper. database match) = 0.36 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 140.61 (Adapted Stein & Brown method) Melting Pt (deg C): -22.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.19 (Modified Grain method) MP (exp database): 60 deg C BP (exp database): 196 deg C VP (exp database): 5.53E-02 mm Hg at 25 deg C Subcooled liquid VP: 0.123 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.639e+004 log Kow used: 0.36 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 7.64e+004 mg/L (25 deg C) Exper. Ref: EPA Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 56492 mg/L Wat Sol (Exper. database match) = 76400.00 Exper. Ref: EPA ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.97E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.572E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.36 (exp database) Log Kaw used: -5.545 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7780 Biowin2 (Non-Linear Model) : 0.9278 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9246 (weeks ) Biowin4 (Primary Survey Model) : 3.8926 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4611 Biowin6 (MITI Non-Linear Model): 0.6997 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8085 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): 16.4 Pa (0.123 mm Hg) Log Koa (Koawin est ): 5.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-007 Octanol/air (Koa) model: 1.97E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-006 Mackay model : 1.46E-005 Octanol/air (Koa) model: 1.58E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.5304 E-12 cm3/molecule-sec Half-Life = 1.122 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.468 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.06E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.75 Log Koc: 1.337 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 = 0.500 (BCF = 3.162) log Kow used: 0.36 (expkow database) Volatilization from Water: Henry LC: 6.97E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8531 hours (355.5 days) Half-Life from Model Lake : 9.315E+004 hours (3881 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 1.04 26.9 1000 Water 41 360 1000 Soil 57.9 720 1000 Sediment 0.0767 3.24e+003 0 Persistence Time: 470 hr
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