This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
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