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: 27458-90-8
SMILES : CC(SSC(CCCCCCCCC)(C)C)(CCCCCCCCC)C
CHEM : Disulfide, di-tert-dodecyl
MOL FOR: C24 H50 S2
MOL WT : 402.79
------------------------------ 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) = 12.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 424.16 (Adapted Stein & Brown method)
Melting Pt (deg C): 147.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.22E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.63E-005 (Modified Grain method)
Subcooled liquid VP: 2.14E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000285 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.791e-008
log Kow used: 12.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.0279e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.18E-001 atm-m3/mole (6.26E+004 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: 9.521E-001 atm-m3/mole (9.647E+004 Pa-m3/mole)
VP: 1.22E-007 mm Hg (source: MPBPVP)
WS: 6.79E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.46 (KowWin est)
Log Kaw used: 1.403 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.057
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4048
Biowin2 (Non-Linear Model) : 0.0780
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4815 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4979 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4422
Biowin6 (MITI Non-Linear Model): 0.2115
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5294
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.4527
BioHC Half-Life (days) : 283.6110
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000285 Pa (2.14E-006 mm Hg)
Log Koa (Koawin est ): 11.057
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0105
Octanol/air (Koa) model: 0.028
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.275
Mackay model : 0.457
Octanol/air (Koa) model: 0.691
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 248.0840 E-12 cm3/molecule-sec
Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.517 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.366 (Junge-Pankow, Mackay avg)
0.691 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.063E+007 L/kg (MCI method)
Log Koc: 7.027 (MCI method)
Koc : 6.511E+010 L/kg (Kow method)
Log Koc: 10.814 (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) = 2.5871 days (HL = 386.5 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.015 (BCF = 1.035)
Log BAF Arnot-Gobas method (upper trophic) = 2.757 (BAF = 571.4)
log Kow used: 12.46 (estimated)
Volatilization from Water:
Henry LC: 0.618 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.05 hours
Half-Life from Model Lake : 190.6 hours (7.944 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.0475 1.03 1000
Water 18.1 900 1000
Soil 81.8 1.8e+003 1000
Sediment 0.0795 8.1e+003 0
Persistence Time: 1.04e+003 hr