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CAS Num: 000107-15-3

SMILES : NCCN

CHEM : 1,2-Ethanediamine

MOL FOR: C2 H8 N2

MOL WT : 60.10

------------------------------ 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) = -1.62

Log Kow (Exper. database match) = -2.04

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 103.44 (Adapted Stein & Brown method)

Melting Pt (deg C): -23.80 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 17.9 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.38E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): 11.1 deg C

BP (exp database): 117 deg C

VP (exp database): 1.20E+01 mm Hg (1.60E+003 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: -2.04 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)

Exper. Ref: US EPA (1981)

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 : 1.03E-009 atm-m3/mole (1.05E-004 Pa-m3/mole)

Group Method: 1.77E-010 atm-m3/mole (1.80E-005 Pa-m3/mole)

Exper Database: 1.73E-09 atm-m3/mole (1.75E-004 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: 1.416E-006 atm-m3/mole (1.434E-001 Pa-m3/mole)

VP: 17.9 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: -2.04 (exp database)

Log Kaw used: -7.150 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.110

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0266

Biowin2 (Non-Linear Model) : 0.9876

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1152 (weeks )

Biowin4 (Primary Survey Model) : 3.8476 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6987

Biowin6 (MITI Non-Linear Model): 0.7466

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2426

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): 1.6E+003 Pa (12 mm Hg)

Log Koa (Koawin est ): 5.110

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

Mackay model : 1.87E-009

Octanol/air (Koa) model: 3.16E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.77E-008

Mackay model : 1.5E-007

Octanol/air (Koa) model: 2.53E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 63.3681 E-12 cm3/molecule-sec

Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.025 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.09E-007 (Junge-Pankow, Mackay avg)

2.53E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 14.87 L/kg (MCI method)

Log Koc: 1.172 (MCI method)

Koc : 0.5664 L/kg (Kow method)

Log Koc: -0.247 (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) = -1.4563 days (HL = 0.03497 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8936)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8936)

log Kow used: -2.04 (expkow database)

Volatilization from Water:

Henry LC: 1.73E-009 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.624E+005 hours (1.093E+004 days)

Half-Life from Model Lake : 2.862E+006 hours (1.193E+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 0.0333 4.05 1000

Water 29 360 1000

Soil 70.9 720 1000

Sediment 0.0711 3.24e+003 0

Persistence Time: 629 hr

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