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CAS Num: 000075-50-3
SMILES : N(C)(C)C
CHEM : Methanamine, N,N-dimethyl-
MOL FOR: C3 H9 N1
MOL WT : 59.11
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.04
Log Kow (Exper. database match) = 0.16
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 18.82 (Adapted Stein & Brown method)
Melting Pt (deg C): -109.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.68E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.24E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -117.08 deg C
BP (exp database): 2.87 deg C
VP (exp database): 1.61E+03 mm Hg (2.15E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: 0.16 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 8.9e+005 mg/L (30 deg C)
Exper. Ref: SCHWEIZER,AE ET AL. (1978)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.65E-005 atm-m3/mole (3.70E+000 Pa-m3/mole)
Group Method: 1.28E-004 atm-m3/mole (1.30E+001 Pa-m3/mole)
Exper Database: 1.04E-04 atm-m3/mole (1.05E+001 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.911E-005 atm-m3/mole (5.989E+000 Pa-m3/mole)
VP: 1.68E+003 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.16 (exp database)
Log Kaw used: -2.371 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.531
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5141
Biowin2 (Non-Linear Model) : 0.4866
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8137 (weeks )
Biowin4 (Primary Survey Model) : 3.4745 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4527
Biowin6 (MITI Non-Linear Model): 0.5094
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4775
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): 2.15E+005 Pa (1.61E+003 mm Hg)
Log Koa (Koawin est ): 2.531
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.4E-011
Octanol/air (Koa) model: 8.34E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.05E-010
Mackay model : 1.12E-009
Octanol/air (Koa) model: 6.67E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 69.7944 E-12 cm3/molecule-sec
Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.839 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.11E-010 (Junge-Pankow, Mackay avg)
6.67E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.32 L/kg (MCI method)
Log Koc: 0.865 (MCI method)
Koc : 8.876 L/kg (Kow method)
Log Koc: 0.948 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6871 days (HL = 0.02055 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.017 (BCF = 0.9622)
Log BAF Arnot-Gobas method (upper trophic) = -0.017 (BAF = 0.9622)
log Kow used: 0.16 (expkow database)
Volatilization from Water:
Henry LC: 0.000104 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 5.113 hours
Half-Life from Model Lake : 120.2 hours (5.01 days)
Removal In Wastewater Treatment:
Total removal: 6.83 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.68 percent
Total to Air: 5.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.11 3.67 1000
Water 44.5 360 1000
Soil 54.3 720 1000
Sediment 0.0952 3.24e+003 0
Persistence Time: 248 hr