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: 022014-48-8
SMILES : CCOC(=O)CCCSC
CHEM :
MOL FOR: C7 H14 O2 S1
MOL WT : 162.25
------------------------------ 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) = 1.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 208.10 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.24 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 32 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1494
log Kow used: 1.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1397.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.38E-006 atm-m3/mole (4.43E-001 Pa-m3/mole)
Group Method: 1.47E-006 atm-m3/mole (1.49E-001 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: 3.430E-005 atm-m3/mole (3.475E+000 Pa-m3/mole)
VP: 0.24 mm Hg (source: MPBPVP)
WS: 1.49E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.93 (KowWin est)
Log Kaw used: -3.747 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.677
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8445
Biowin2 (Non-Linear Model) : 0.9917
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9808 (weeks )
Biowin4 (Primary Survey Model) : 3.8426 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7717
Biowin6 (MITI Non-Linear Model): 0.8854
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9528
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): 29.5 Pa (0.221 mm Hg)
Log Koa (Koawin est ): 5.677
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.02E-007
Octanol/air (Koa) model: 1.17E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.68E-006
Mackay model : 8.14E-006
Octanol/air (Koa) model: 9.33E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.1525 E-12 cm3/molecule-sec
Half-Life = 0.706 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.471 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
5.91E-006 (Junge-Pankow, Mackay avg)
9.33E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 64.46 L/kg (MCI method)
Log Koc: 1.809 (MCI method)
Koc : 84.54 L/kg (Kow method)
Log Koc: 1.927 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.266E-002 L/mol-sec
Kb Half-Life at pH 8: 128.021 days
Kb Half-Life at pH 7: 3.505 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.942 (BCF = 8.758 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5326 days (HL = 0.02934 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.648 (BCF = 4.443)
Log BAF Arnot-Gobas method (upper trophic) = 0.648 (BAF = 4.443)
log Kow used: 1.93 (estimated)
Volatilization from Water:
Henry LC: 1.47E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 508.6 hours (21.19 days)
Half-Life from Model Lake : 5655 hours (235.6 days)
Removal In Wastewater Treatment:
Total removal: 2.27 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.09 percent
Total to Air: 0.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.47 16.9 1000
Water 29.2 360 1000
Soil 69.2 720 1000
Sediment 0.13 3.24e+003 0
Persistence Time: 441 hr