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CAS Number: 9004-82-4
SMILES : O([Na])S(=O)(=O)OC=COC=COCCCCCCCCCCCC
CHEM : SODIUM LAURYL ETHER SULFATE
MOL FOR: C16 H29 O6 S1 Na1
MOL WT : 372.46
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 1.62
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 666.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 290.23 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.51E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 2.01E-013 (Modified Grain method)
Subcooled liquid VP: 1.33E-012 mm Hg (25 deg C, Mod-Grain method)
: 1.78E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 187.3
log Kow used: 1.62 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.21862 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.03E-008 atm-m3/mole (7.12E-003 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: 3.951E-018 atm-m3/mole (4.003E-013 Pa-m3/mole)
VP: 1.51E-015 mm Hg (source: MPBPVP)
WS: 187 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.62 (KowWin est)
Log Kaw used: -5.542 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.162
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0056
Biowin2 (Non-Linear Model) : 0.0009
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7057 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5917 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2412
Biowin6 (MITI Non-Linear Model): 0.0498
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0839
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): 1.77E-010 Pa (1.33E-012 mm Hg)
Log Koa (Koawin est ): 7.162
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.69E+004
Octanol/air (Koa) model: 3.56E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.000285
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 153.3692 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 170.8492 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.837 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.751 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.525000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.183 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.091 Days (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.000285 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2111 L/kg (MCI method)
Log Koc: 3.325 (MCI method)
Koc : 63.3 L/kg (Kow method)
Log Koc: 1.801 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8758 days (HL = 0.1331 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.198 (BCF = 15.77)
Log BAF Arnot-Gobas method (upper trophic) = 1.198 (BAF = 15.77)
log Kow used: 2.35 (estimated)
Volatilization from Water:
Henry LC: 7.03E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.608E+004 hours (669.8 days)
Half-Life from Model Lake : 1.755E+005 hours (7314 days)
Removal In Wastewater Treatment:
Total removal: 2.02 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.92 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 0.064 1.62 1000
Water 17.1 900 1000
Soil 80.8 1.8e+003 1000
Sediment 2.04 8.1e+003 0
Persistence Time: 1.12e+003 hr