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CAS Number: 3710-84-7

SMILES : ON(CC)CC

CHEM : Ethanamine, N-ethyl-N-hydroxy-

MOL FOR: C4 H11 N1 O1

MOL WT : 89.14

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 0.43

Log Kow (Exper. database match) = -0.17

Exper. Ref: CITI (2007)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 219.58 (Adapted Stein & Brown method)

Melting Pt (deg C): 7.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.46 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 462 (Mean VP of Antoine & Grain methods)

MP (exp database): 10 deg C

BP (exp database): 133 deg C

VP (exp database): 3.36E+00 mm Hg (4.48E+002 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1.747e+005

log Kow used: -0.17 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.1974e+005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 5.87E-008 atm-m3/mole (5.95E-003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.323E-006 atm-m3/mole (2.354E-001 Pa-m3/mole)

VP: 3.46 mm Hg (source: MPBPVP)

WS: 1.75E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.17 (exp database)

Log Kaw used: -5.620 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.450

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7051

Biowin2 (Non-Linear Model) : 0.8511

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0022 (weeks )

Biowin4 (Primary Survey Model) : 3.7191 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5466

Biowin6 (MITI Non-Linear Model): 0.7006

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7289

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): 448 Pa (3.36 mm Hg)

Log Koa (Koawin est ): 5.450

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 6.7E-009

Octanol/air (Koa) model: 6.92E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.42E-007

Mackay model : 5.36E-007

Octanol/air (Koa) model: 5.53E-006

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 83.7070 E-12 cm3/molecule-sec

Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.533 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.89E-007 (Junge-Pankow, Mackay avg)

5.53E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 43.47 L/kg (MCI method)

Log Koc: 1.638 (MCI method)

Koc : 6.13 L/kg (Kow method)

Log Koc: 0.787 (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 v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2793 days (HL = 0.05256 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.026 (BCF = 0.9419)

Log BAF Arnot-Gobas method (upper trophic) = -0.026 (BAF = 0.9419)

log Kow used: -0.17 (expkow database)

Volatilization from Water:

Henry LC: 5.87E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9418 hours (392.4 days)

Half-Life from Model Lake : 1.028E+005 hours (4284 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.227 2.54 1000

Water 29.7 360 1000

Soil 70 720 1000

Sediment 0.108 3.24e+003 0

Persistence Time: 458 hr

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