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: 1132-61-2
SMILES : O=S(=O)(O)CCCN(CCOC1)C1
CHEM : 4-Morpholinepropanesulfonic acid
MOL FOR: C7 H15 N1 O4 S1
MOL WT : 209.26
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = -2.58
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 354.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 124.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.22E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 6.97E-007 (Modified Grain method)
MP (exp database): 284 deg C
Subcooled liquid VP: 3.85E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000514 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: -2.58 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.54E-014 atm-m3/mole (7.64E-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: 1.437E-015 atm-m3/mole (1.456E-010 Pa-m3/mole)
VP: 5.22E-009 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: -2.58 (KowWin est)
Log Kaw used: -11.511 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.931
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2037
Biowin2 (Non-Linear Model) : 0.7717
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6658 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4252 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2334
Biowin6 (MITI Non-Linear Model): 0.0973
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8981
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): 0.000513 Pa (3.85E-006 mm Hg)
Log Koa (Koawin est ): 8.931
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00584
Octanol/air (Koa) model: 0.000209
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.174
Mackay model : 0.319
Octanol/air (Koa) model: 0.0165
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 154.2049 E-12 cm3/molecule-sec
Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.832 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.246 (Junge-Pankow, Mackay avg)
0.0165 (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 : 0.2198 L/kg (Kow method)
Log Koc: -0.658 (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) = -3.2153 days (HL = 0.0006091 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8931)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8931)
log Kow used: -2.58 (estimated)
Volatilization from Water:
Henry LC: 7.54E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.123E+010 hours (4.68E+008 days)
Half-Life from Model Lake : 1.225E+011 hours (5.106E+009 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 1.7e-005 1.66 1000
Water 35 900 1000
Soil 64.9 1.8e+003 1000
Sediment 0.0835 8.1e+003 0
Persistence Time: 1.15e+003 hr