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: 41892-36-8
SMILES : CCCCCCCCCCOS(=O)C
CHEM :
MOL FOR: C11 H24 O2 S1
MOL WT : 220.37
------------------------------ 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) = 3.59
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 313.21 (Adapted Stein & Brown method)
Melting Pt (deg C): 66.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000398 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0531 (Modified Grain method)
Subcooled liquid VP: 0.000965 mm Hg (25 deg C, Mod-Grain method)
: 0.129 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 29.62
log Kow used: 3.59 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 24.618 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.10E-007 atm-m3/mole (4.16E-002 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: 3.896E-006 atm-m3/mole (3.948E-001 Pa-m3/mole)
VP: 0.000398 mm Hg (source: MPBPVP)
WS: 29.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.59 (KowWin est)
Log Kaw used: -4.776 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.366
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7511
Biowin2 (Non-Linear Model) : 0.8485
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0105 (weeks )
Biowin4 (Primary Survey Model) : 3.7989 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5021
Biowin6 (MITI Non-Linear Model): 0.5170
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5931
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): 0.129 Pa (0.000965 mm Hg)
Log Koa (Koawin est ): 8.366
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.33E-005
Octanol/air (Koa) model: 5.7E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000841
Mackay model : 0.00186
Octanol/air (Koa) model: 0.00454
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 13.0724 E-12 cm3/molecule-sec
Half-Life = 0.818 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.819 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00135 (Junge-Pankow, Mackay avg)
0.00454 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 677.7 L/kg (MCI method)
Log Koc: 2.831 (MCI method)
Koc : 1181 L/kg (Kow method)
Log Koc: 3.072 (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 = 2.034 (BCF = 108.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2578 days (HL = 0.5524 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.170 (BCF = 148)
Log BAF Arnot-Gobas method (upper trophic) = 2.170 (BAF = 148.1)
log Kow used: 3.59 (estimated)
Volatilization from Water:
Henry LC: 4.1E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2121 hours (88.39 days)
Half-Life from Model Lake : 2.327E+004 hours (969.4 days)
Removal In Wastewater Treatment:
Total removal: 15.26 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 15.04 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.27 19.6 1000
Water 23.3 360 1000
Soil 74.8 720 1000
Sediment 0.591 3.24e+003 0
Persistence Time: 506 hr