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CAS Number: 74-89-5
SMILES : NC
CHEM : Methanamine
MOL FOR: C1 H5 N1
MOL WT : 31.06
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = -0.64
Log Kow (Exper. database match) = -0.57
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 10.16 (Adapted Stein & Brown method)
Melting Pt (deg C): -98.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.3E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.07E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -93.4 deg C
BP (exp database): -6.3 deg C
VP (exp database): 2.65E+03 mm Hg (3.53E+005 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: -0.57 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.08e+006 mg/L (25 deg C)
Exper. Ref: SCHWEIZER,AE ET AL. (1978)
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 : 7.58E-006 atm-m3/mole (7.68E-001 Pa-m3/mole)
Group Method: 7.22E-006 atm-m3/mole (7.31E-001 Pa-m3/mole)
Exper Database: 1.11E-05 atm-m3/mole (1.12E+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: 3.106E-005 atm-m3/mole (3.147E+000 Pa-m3/mole)
VP: 2.3E+003 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: -0.57 (exp database)
Log Kaw used: -3.343 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.773
Log Koa (experimental database): 1.900
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8866
Biowin2 (Non-Linear Model) : 0.9753
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1550 (weeks )
Biowin4 (Primary Survey Model) : 3.8462 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6534
Biowin6 (MITI Non-Linear Model): 0.7964
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9338
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): 3.53E+005 Pa (2.65E+003 mm Hg)
Log Koa (Exp database): 1.900
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.49E-012
Octanol/air (Koa) model: 1.95E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.07E-010
Mackay model : 6.79E-010
Octanol/air (Koa) model: 1.56E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.2648 E-12 cm3/molecule-sec
Half-Life = 0.480 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.765 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.93E-010 (Junge-Pankow, Mackay avg)
1.56E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.098 L/kg (MCI method)
Log Koc: 0.908 (MCI method)
Koc : 3.873 L/kg (Kow method)
Log Koc: 0.588 (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) = -1.1401 days (HL = 0.07244 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.039 (BCF = 0.9144)
Log BAF Arnot-Gobas method (upper trophic) = -0.039 (BAF = 0.9144)
log Kow used: -0.57 (expkow database)
Volatilization from Water:
Henry LC: 1.11E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 29.96 hours (1.249 days)
Half-Life from Model Lake : 373.6 hours (15.57 days)
Removal In Wastewater Treatment:
Total removal: 2.46 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.62 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57 11.7 1000
Water 41 360 1000
Soil 57.3 720 1000
Sediment 0.0891 3.24e+003 0
Persistence Time: 352 hr