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CAS Number: 9002-98-6

SMILES : C1CN1

CHEM :

MOL FOR: C2 H5 N1

MOL WT : 43.07

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = -0.28

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

Boiling Pt (deg C): 47.89 (Adapted Stein & Brown method)

Melting Pt (deg C): -59.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 231 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.08E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -77.9 deg C

BP (exp database): 56 deg C

VP (exp database): 2.13E+02 mm Hg (2.84E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.28 (estimated)

no-melting pt equation used

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

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aziridines

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

Bond Method : 7.33E-006 atm-m3/mole (7.43E-001 Pa-m3/mole)

Group Method: 1.51E-006 atm-m3/mole (1.53E-001 Pa-m3/mole)

Exper Database: 1.21E-05 atm-m3/mole (1.23E+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: 1.309E-005 atm-m3/mole (1.326E+000 Pa-m3/mole)

VP: 231 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: -0.28 (KowWin est)

Log Kaw used: -3.306 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.026

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8809

Biowin2 (Non-Linear Model) : 0.9709

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1284 (weeks )

Biowin4 (Primary Survey Model) : 3.8289 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6568

Biowin6 (MITI Non-Linear Model): 0.8132

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7733

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): 2.84E+004 Pa (213 mm Hg)

Log Koa (Koawin est ): 3.026

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

Mackay model : 1.06E-010

Octanol/air (Koa) model: 2.61E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.82E-009

Mackay model : 8.45E-009

Octanol/air (Koa) model: 2.08E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 6.4274 E-12 cm3/molecule-sec

Half-Life = 1.664 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 19.970 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.13E-009 (Junge-Pankow, Mackay avg)

2.08E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.043 L/kg (MCI method)

Log Koc: 0.956 (MCI method)

Koc : 5.329 L/kg (Kow method)

Log Koc: 0.727 (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) = -1.1359 days (HL = 0.07314 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.030 (BCF = 0.9343)

Log BAF Arnot-Gobas method (upper trophic) = -0.030 (BAF = 0.9343)

log Kow used: -0.28 (estimated)

Volatilization from Water:

Henry LC: 1.21E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 32.42 hours (1.351 days)

Half-Life from Model Lake : 408.8 hours (17.03 days)

Removal In Wastewater Treatment:

Total removal: 2.51 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.67 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.93 42.1 1000

Water 39.6 360 1000

Soil 56.4 720 1000

Sediment 0.0876 3.24e+003 0

Persistence Time: 365 hr

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