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 Num: 000087-67-2
SMILES : OCCN(C)(C)(C)OC(=O)C(O)C(O)C(=O)O
CHEM : Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with [R-(R*,R*)]-2,3-d
ihydroxybutanedioic acid (1:1)
MOL FOR: C9 H19 N1 O7
MOL WT : 253.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -4.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 572.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 246.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.98E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 3.97E-014 (Modified Grain method)
Subcooled liquid VP: 7.51E-014 mm Hg (25 deg C, Mod-Grain method)
: 1E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -4.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.31E-019 atm-m3/mole (3.35E-014 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: 9.930E-023 atm-m3/mole (1.006E-017 Pa-m3/mole)
VP: 2.98E-016 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: -4.99 (KowWin est)
Log Kaw used: -16.869 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.879
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1759
Biowin2 (Non-Linear Model) : 0.9680
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4840 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2563 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6127
Biowin6 (MITI Non-Linear Model): 0.5828
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4650
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): 1E-011 Pa (7.51E-014 mm Hg)
Log Koa (Koawin est ): 11.879
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3E+005
Octanol/air (Koa) model: 0.186
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.937
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.2921 E-12 cm3/molecule-sec
Half-Life = 0.378 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.537 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.937 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 0.0001804 L/kg (Kow method)
Log Koc: -3.744 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.731E+001 L/mol-sec
Kb Half-Life at pH 8: 7.050 hours
Kb Half-Life at pH 7: 2.938 days
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = -3.1223 days (HL = 0.0007545 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: -4.99 (estimated)
Volatilization from Water:
Henry LC: 3.31E-019 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.815E+015 hours (1.173E+014 days)
Half-Life from Model Lake : 3.071E+016 hours (1.279E+015 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 0.000213 9.07 1000
Water 28.1 208 1000
Soil 71.8 416 1000
Sediment 0.0592 1.87e+003 0
Persistence Time: 414 hr