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: 000699-10-5
SMILES : S(SC)Cc(cccc1)c1
CHEM : Disulfide, methyl phenylmethyl
MOL FOR: C8 H10 S2
MOL WT : 170.29
------------------------------ 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) = 3.58
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 260.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 20.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0156 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.08 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 53.61
log Kow used: 3.58 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19.041 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.79E-005 atm-m3/mole (9.92E+000 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: 6.520E-005 atm-m3/mole (6.606E+000 Pa-m3/mole)
VP: 0.0156 mm Hg (source: MPBPVP)
WS: 53.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.58 (KowWin est)
Log Kaw used: -2.398 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.978
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7946
Biowin2 (Non-Linear Model) : 0.9160
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8449 (weeks )
Biowin4 (Primary Survey Model) : 3.6069 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1913
Biowin6 (MITI Non-Linear Model): 0.1307
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4902
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8291
BioHC Half-Life (days) : 6.7462
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.08 Pa (0.0156 mm Hg)
Log Koa (Koawin est ): 5.978
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.44E-006
Octanol/air (Koa) model: 2.33E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.21E-005
Mackay model : 0.000115
Octanol/air (Koa) model: 1.87E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 238.1911 E-12 cm3/molecule-sec
Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.539 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.37E-005 (Junge-Pankow, Mackay avg)
1.87E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1482 L/kg (MCI method)
Log Koc: 3.171 (MCI method)
Koc : 1278 L/kg (Kow method)
Log Koc: 3.107 (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 = 0.689 (BCF = 4.891 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6636 days (HL = 0.217 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.873 (BCF = 74.73)
Log BAF Arnot-Gobas method (upper trophic) = 1.873 (BAF = 74.73)
log Kow used: 3.58 (estimated)
Volatilization from Water:
Henry LC: 9.79E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.136 hours
Half-Life from Model Lake : 209.1 hours (8.712 days)
Removal In Wastewater Treatment:
Total removal: 18.77 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 14.46 percent
Total to Air: 4.12 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.141 1.08 1000
Water 21.1 360 1000
Soil 77.7 720 1000
Sediment 1.05 3.24e+003 0
Persistence Time: 437 hr