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CAS Number: 4747-21-1
SMILES : N(C)C(C)C
CHEM : 2-PROPANAMINE, N-METHYL-
MOL FOR: C4 H11 N1
MOL WT : 73.14
------------------------------ 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) = 0.74
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 52.90 (Adapted Stein & Brown method)
Melting Pt (deg C): -91.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 288 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.84E+004 (Mean VP of Antoine & Grain methods)
BP (exp database): 50.4 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.214e+005
log Kow used: 0.74 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.7113e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.93E-005 atm-m3/mole (2.97E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 8.624E-005 atm-m3/mole (8.738E+000 Pa-m3/mole)
VP: 288 mm Hg (source: MPBPVP)
WS: 3.21E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.74 (KowWin est)
Log Kaw used: -2.922 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.662
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8666
Biowin2 (Non-Linear Model) : 0.9561
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0620 (weeks )
Biowin4 (Primary Survey Model) : 3.7855 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4784
Biowin6 (MITI Non-Linear Model): 0.5220
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6088
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 3.81E+004 Pa (286 mm Hg)
Log Koa (Koawin est ): 3.662
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.87E-011
Octanol/air (Koa) model: 1.13E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.84E-009
Mackay model : 6.29E-009
Octanol/air (Koa) model: 9.02E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 82.6414 E-12 cm3/molecule-sec
Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.553 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.57E-009 (Junge-Pankow, Mackay avg)
9.02E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 22.79 L/kg (MCI method)
Log Koc: 1.358 (MCI method)
Koc : 19.54 L/kg (Kow method)
Log Koc: 1.291 (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) = -0.5476 days (HL = 0.2834 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.154 (BCF = 1.426)
Log BAF Arnot-Gobas method (upper trophic) = 0.154 (BAF = 1.426)
log Kow used: 0.74 (estimated)
Volatilization from Water:
Henry LC: 2.93E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 17.96 hours
Half-Life from Model Lake : 267.7 hours (11.15 days)
Removal In Wastewater Treatment:
Total removal: 3.43 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 1.58 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.495 3.11 1000
Water 35.3 360 1000
Soil 64.2 720 1000
Sediment 0.0982 3.24e+003 0
Persistence Time: 357 hr