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CAS Num: 000107-35-7
SMILES : O=S(=O)(O)CCN
CHEM : Ethanesulfonic acid, 2-amino-
MOL FOR: C2 H7 N1 O3 S1
MOL WT : 125.14
------------------------------ 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) = -3.36
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 280.52 (Adapted Stein & Brown method)
Melting Pt (deg C): 70.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.75E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 2.33E-005 (Modified Grain method)
MP (exp database): 328 deg C
Subcooled liquid VP: 0.000467 mm Hg (25 deg C, Mod-Grain method)
: 0.0622 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: -3.36 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 8.07e+004 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.72E-012 atm-m3/mole (1.74E-007 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: 2.882E-014 atm-m3/mole (2.920E-009 Pa-m3/mole)
VP: 1.75E-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: -3.36 (KowWin est)
Log Kaw used: -10.153 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.793
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9502
Biowin2 (Non-Linear Model) : 0.9999
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1397 (weeks )
Biowin4 (Primary Survey Model) : 3.8876 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4720
Biowin6 (MITI Non-Linear Model): 0.3746
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0654
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): 0.0623 Pa (0.000467 mm Hg)
Log Koa (Koawin est ): 6.793
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.82E-005
Octanol/air (Koa) model: 1.52E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00174
Mackay model : 0.00384
Octanol/air (Koa) model: 0.000122
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.9728 E-12 cm3/molecule-sec
Half-Life = 0.324 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.893 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00279 (Junge-Pankow, Mackay avg)
0.000122 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1 L/kg (MCI method)
Log Koc: 0.000 (MCI method)
Koc : 0.1109 L/kg (Kow method)
Log Koc: -0.955 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4360 days (HL = 0.003664 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: -3.36 (estimated)
Volatilization from Water:
Henry LC: 1.72E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.808E+008 hours (1.587E+007 days)
Half-Life from Model Lake : 4.154E+009 hours (1.731E+008 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 0.000112 7.79 1000
Water 37.7 360 1000
Soil 62.2 720 1000
Sediment 0.0706 3.24e+003 0
Persistence Time: 587 hr