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CAS Number: 24579-73-5
SMILES : CN(C)CCCNC(=O)OCCC
CHEM : Propamocarb
MOL FOR: C9 H20 N2 O2
MOL WT : 188.27
------------------------------ 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) = 1.13
Log Kow (Exper. database match) = 1.12
Exper. Ref: CHAMBERLAIN,K ET AL. (1996)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 244.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 37.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0267 (Modified Grain method)
VP (Pa, 25 deg C) : 3.55 (Modified Grain method)
VP (exp database): 5.48E-02 mm Hg (7.31E+000 Pa) at 25 deg C
Subcooled liquid VP: 0.0727 mm Hg (25 deg C, exp database VP )
: 9.69 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.645e+004
log Kow used: 1.12 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 9e+005 mg/L (20 deg C)
Exper. Ref: TOMLIN,C (1997); pH 7.0
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 78386 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.34E-010 atm-m3/mole (1.36E-005 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.48E-09 atm-m3/mole (1.50E-004 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: 1.172E-007 atm-m3/mole (1.187E-002 Pa-m3/mole)
VP: 0.0267 mm Hg (source: MPBPVP)
WS: 5.65E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.12 (exp database)
Log Kaw used: -7.218 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.338
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5322
Biowin2 (Non-Linear Model) : 0.2935
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4816 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4817 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2720
Biowin6 (MITI Non-Linear Model): 0.2452
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3475
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): 9.69 Pa (0.0727 mm Hg)
Log Koa (Koawin est ): 8.338
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.09E-007
Octanol/air (Koa) model: 5.35E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.12E-005
Mackay model : 2.48E-005
Octanol/air (Koa) model: 0.00426
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 98.7733 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.299 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.8E-005 (Junge-Pankow, Mackay avg)
0.00426 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 100.5 L/kg (MCI method)
Log Koc: 2.002 (MCI method)
Koc : 23.71 L/kg (Kow method)
Log Koc: 1.375 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.928E-006 L/mol-sec
Kb Half-Life at pH 8: 4456.481 years
Kb Half-Life at pH 7: 4.456E+004 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.406 (BCF = 2.547 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.3789 days (HL = 0.004179 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.068 (BCF = 1.171)
Log BAF Arnot-Gobas method (upper trophic) = 0.068 (BAF = 1.171)
log Kow used: 1.12 (expkow database)
Volatilization from Water:
Henry LC: 1.48E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 5.428E+005 hours (2.262E+004 days)
Half-Life from Model Lake : 5.922E+006 hours (2.467E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.81 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0115 2.6 1000
Water 17.8 900 1000
Soil 82 1.8e+003 1000
Sediment 0.12 8.1e+003 0
Persistence Time: 1.51e+003 hr