N,N-Dimethylformamide
CN(C)C=O
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
ZMXDDKWLCZADIW-UHFFFAOYSA-N
CSID:5993, http://www.chemspider.com/Chemical-Structure.5993.html (accessed 06:39, Apr 16, 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 Log Kow (Exper. database match) = -1.01 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 117.42 (Adapted Stein & Brown method) Melting Pt (deg C): -31.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.49 (Mean VP of Antoine & Grain methods) MP (exp database): -60.4 deg C BP (exp database): 153 deg C VP (exp database): 3.87E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.779e+005 log Kow used: -1.01 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: ISHOW (NA--) @2ND Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: ISHOW (NA--) @2ND ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.38E-008 atm-m3/mole Group Method: Incomplete Exper Database: 7.39E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.433E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.01 (exp database) Log Kaw used: -5.520 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.510 Log Koa (experimental database): 4.380 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9229 Biowin2 (Non-Linear Model) : 0.9906 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9834 (weeks ) Biowin4 (Primary Survey Model) : 3.9477 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6221 Biowin6 (MITI Non-Linear Model): 0.7925 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1091 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 516 Pa (3.87 mm Hg) Log Koa (Exp database): 4.380 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.81E-009 Octanol/air (Koa) model: 5.89E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.1E-007 Mackay model : 4.65E-007 Octanol/air (Koa) model: 4.71E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.5296 E-12 cm3/molecule-sec Half-Life = 0.610 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.322 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.38E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.411 Log Koc: 0.382 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: -1.01 (expkow database) Volatilization from Water: Henry LC: 7.39E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 6775 hours (282.3 days) Half-Life from Model Lake : 7.398E+004 hours (3082 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.894 14.6 1000 Water 43.4 360 1000 Soil 55.7 720 1000 Sediment 0.0794 3.24e+003 0 Persistence Time: 432 hr
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