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: 62-51-1
SMILES : O=C(OC(C)CN(CL)(C)(C)C)C
CHEM : 1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
MOL FOR: C8 H18 CL1 N1 O2
MOL WT : 195.69
------------------------------ 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) = -3.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 391.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 142.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.04E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 5.39E-005 (Modified Grain method)
MP (exp database): 172 deg C
Subcooled liquid VP: 1.34E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00179 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -3.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2783.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.75E-014 atm-m3/mole (1.77E-009 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: 1.040E-013 atm-m3/mole (1.054E-008 Pa-m3/mole)
VP: 4.04E-007 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: -3.03 (KowWin est)
Log Kaw used: -12.145 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.115
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8286
Biowin2 (Non-Linear Model) : 0.9867
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9069 (weeks )
Biowin4 (Primary Survey Model) : 3.7944 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4652
Biowin6 (MITI Non-Linear Model): 0.5011
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0325
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): 0.00179 Pa (1.34E-005 mm Hg)
Log Koa (Koawin est ): 9.115
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00168
Octanol/air (Koa) model: 0.00032
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0572
Mackay model : 0.118
Octanol/air (Koa) model: 0.025
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.5058 E-12 cm3/molecule-sec
Half-Life = 0.578 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.936 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0878 (Junge-Pankow, Mackay avg)
0.025 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 12.32 L/kg (MCI method)
Log Koc: 1.091 (MCI method)
Koc : 0.1248 L/kg (Kow method)
Log Koc: -0.904 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.082E-002 L/mol-sec
Kb Half-Life at pH 8: 88.325 days
Kb Half-Life at pH 7: 2.418 years
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = -2.6729 days (HL = 0.002124 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: -3.03 (estimated)
Volatilization from Water:
Henry LC: 1.75E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.68E+010 hours (1.95E+009 days)
Half-Life from Model Lake : 5.106E+011 hours (2.127E+010 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 4.23e-007 13.9 1000
Water 29.4 360 1000
Soil 70.5 720 1000
Sediment 0.0691 3.24e+003 0
Persistence Time: 650 hr