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N-Carbamoyl-2-propylpentanamide
CCCC(CCC)C(=O)NC(=O)N
InChI=1S/C9H18N2O2/c1-3-5-7(6-4-2)8(12)11-9(10)13/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
PZMMWWLCCGJACT-UHFFFAOYSA-N
CSID:72436, http://www.chemspider.com/Chemical-Structure.72436.html (accessed 04:36, Apr 26, 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) = 1.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 395.87 (Adapted Stein & Brown method) Melting Pt (deg C): 163.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.9E-007 (Modified Grain method) Subcooled liquid VP: 1.05E-005 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): 1304 log Kow used: 1.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.551 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.91E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.330E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.87 (KowWin est) Log Kaw used: -7.617 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.487 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6589 Biowin2 (Non-Linear Model) : 0.5900 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7876 (weeks ) Biowin4 (Primary Survey Model) : 3.5790 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3058 Biowin6 (MITI Non-Linear Model): 0.2325 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6150 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): 0.0014 Pa (1.05E-005 mm Hg) Log Koa (Koawin est ): 9.487 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00214 Octanol/air (Koa) model: 0.000753 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0718 Mackay model : 0.146 Octanol/air (Koa) model: 0.0568 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.7943 E-12 cm3/molecule-sec Half-Life = 0.677 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.126 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.109 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 138.1 Log Koc: 2.140 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 = 0.738 (BCF = 5.47) log Kow used: 1.87 (estimated) Volatilization from Water: Henry LC: 5.91E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.352E+006 hours (5.633E+004 days) Half-Life from Model Lake : 1.475E+007 hours (6.146E+005 days) Removal In Wastewater Treatment: Total removal: 2.14 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.05 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 0.0126 16.3 1000 Water 24.4 360 1000 Soil 75.5 720 1000 Sediment 0.0755 3.24e+003 0 Persistence Time: 691 hr
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