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CAS Number: 627-35-0
SMILES : CCCNC
CHEM : N-Methylpropylamine
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) = 0.81
Log Kow (Exper. database match) = 0.84
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 68.26 (Adapted Stein & Brown method)
Melting Pt (deg C): -79.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 182 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.42E+004 (Mean VP of Antoine & Grain methods)
BP (exp database): 62 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.62e+005
log Kow used: 0.84 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.4079e+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: 3.08E-005 atm-m3/mole (3.12E+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: 6.685E-005 atm-m3/mole (6.774E+000 Pa-m3/mole)
VP: 182 mm Hg (source: MPBPVP)
WS: 2.62E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.84 (exp database)
Log Kaw used: -2.922 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.762
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) : 0.6275
Biowin6 (MITI Non-Linear Model): 0.7364
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9062
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): 2.39E+004 Pa (179 mm Hg)
Log Koa (Koawin est ): 3.762
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.26E-010
Octanol/air (Koa) model: 1.42E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.54E-009
Mackay model : 1.01E-008
Octanol/air (Koa) model: 1.14E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 76.2649 E-12 cm3/molecule-sec
Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.683 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.3E-009 (Junge-Pankow, Mackay avg)
1.14E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 27.09 L/kg (MCI method)
Log Koc: 1.433 (MCI method)
Koc : 22.19 L/kg (Kow method)
Log Koc: 1.346 (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) = -0.5211 days (HL = 0.3012 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.197 (BCF = 1.573)
Log BAF Arnot-Gobas method (upper trophic) = 0.197 (BAF = 1.573)
log Kow used: 0.84 (expkow database)
Volatilization from Water:
Henry LC: 3.08E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 17.13 hours
Half-Life from Model Lake : 258.6 hours (10.77 days)
Removal In Wastewater Treatment:
Total removal: 3.51 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 1.66 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.524 3.36 1000
Water 34.1 360 1000
Soil 65.3 720 1000
Sediment 0.101 3.24e+003 0
Persistence Time: 363 hr