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CAS Num: 000109-83-1
SMILES : OCCNC
CHEM : Ethanol, 2-(methylamino)-
MOL FOR: C3 H9 N1 O1
MOL WT : 75.11
------------------------------ 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) = -1.15
Log Kow (Exper. database match) = -0.94
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 134.00 (Adapted Stein & Brown method)
Melting Pt (deg C): -35.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.861 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 115 (Mean VP of Antoine & Grain methods)
MP (exp database): -4.5 deg C
BP (exp database): 158 deg C
VP (exp database): 1.08E+00 mm Hg (1.44E+002 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: -0.94 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: KIRK-OTHMER; 4th ed, 2:3 (1992)
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 : 8.07E-010 atm-m3/mole (8.18E-005 Pa-m3/mole)
Group Method: 2.50E-010 atm-m3/mole (2.54E-005 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: 8.509E-008 atm-m3/mole (8.622E-003 Pa-m3/mole)
VP: 0.861 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: -0.94 (exp database)
Log Kaw used: -7.482 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.542
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0243
Biowin2 (Non-Linear Model) : 0.9848
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2176 (weeks )
Biowin4 (Primary Survey Model) : 3.9121 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7824
Biowin6 (MITI Non-Linear Model): 0.8760
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1185
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): 144 Pa (1.08 mm Hg)
Log Koa (Koawin est ): 6.542
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.08E-008
Octanol/air (Koa) model: 8.55E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.52E-007
Mackay model : 1.67E-006
Octanol/air (Koa) model: 6.84E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 79.1097 E-12 cm3/molecule-sec
Half-Life = 0.135 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.622 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.21E-006 (Junge-Pankow, Mackay avg)
6.84E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.303 L/kg (MCI method)
Log Koc: 0.115 (MCI method)
Koc : 0.8915 L/kg (Kow method)
Log Koc: -0.050 (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) = -1.3799 days (HL = 0.04169 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.045 (BCF = 0.9007)
Log BAF Arnot-Gobas method (upper trophic) = -0.045 (BAF = 0.9007)
log Kow used: -0.94 (expkow database)
Volatilization from Water:
Henry LC: 2.5E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.03E+006 hours (8.457E+004 days)
Half-Life from Model Lake : 2.214E+007 hours (9.226E+005 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 0.00571 3.24 1000
Water 37.5 360 1000
Soil 62.4 720 1000
Sediment 0.0707 3.24e+003 0
Persistence Time: 585 hr