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CAS Num: 000075-04-7
SMILES : NCC
CHEM : Ethanamine
MOL FOR: C2 H7 N1
MOL WT : 45.08
------------------------------ 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) = -0.15
Log Kow (Exper. database match) = -0.13
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 36.90 (Adapted Stein & Brown method)
Melting Pt (deg C): -84.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 153 (Modified Grain method)
VP (Pa, 25 deg C) : 2.04E+004 (Modified Grain method)
MP (exp database): 109.5 deg C
BP (exp database): 16.6 deg C
VP (exp database): 1.05E+03 mm Hg (1.40E+005 Pa) at 25 deg C
Subcooled liquid VP: 7.19E+003 mm Hg (25 deg C, exp database VP )
: 9.59E+005 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.13 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: MERCK INDEX (1996)
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 : 1.01E-005 atm-m3/mole (1.02E+000 Pa-m3/mole)
Group Method: 8.68E-006 atm-m3/mole (8.79E-001 Pa-m3/mole)
Exper Database: 1.23E-05 atm-m3/mole (1.25E+000 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: 9.075E-006 atm-m3/mole (9.196E-001 Pa-m3/mole)
VP: 153 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: -0.13 (exp database)
Log Kaw used: -3.299 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.169
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8799
Biowin2 (Non-Linear Model) : 0.9701
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1240 (weeks )
Biowin4 (Primary Survey Model) : 3.8260 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6611
Biowin6 (MITI Non-Linear Model): 0.8004
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9598
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): 9.59E+005 Pa (7.19E+003 mm Hg)
Log Koa (Koawin est ): 3.169
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.13E-012
Octanol/air (Koa) model: 3.62E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.13E-010
Mackay model : 2.5E-010
Octanol/air (Koa) model: 2.9E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.8535 E-12 cm3/molecule-sec
Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.299 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.82E-010 (Junge-Pankow, Mackay avg)
2.9E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 13.31 L/kg (MCI method)
Log Koc: 1.124 (MCI method)
Koc : 6.783 L/kg (Kow method)
Log Koc: 0.831 (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) = -1.0166 days (HL = 0.09625 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.020 (BCF = 0.9559)
Log BAF Arnot-Gobas method (upper trophic) = -0.020 (BAF = 0.9559)
log Kow used: -0.13 (expkow database)
Volatilization from Water:
Henry LC: 1.23E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 32.64 hours (1.36 days)
Half-Life from Model Lake : 412.4 hours (17.18 days)
Removal In Wastewater Treatment:
Total removal: 2.52 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.68 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.24 9.26 1000
Water 38.3 360 1000
Soil 60.3 720 1000
Sediment 0.0917 3.24e+003 0
Persistence Time: 363 hr