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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

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