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: 21142-28-9
SMILES : O=S(=O)(OCCCCCCCCCCCC)ON(H)(H)(H)CC(O)C
CHEM : Sulfuric acid, monododecyl ester, compd. with 1-amino-2-propanol (1:1
)
MOL FOR: C15 H35 N1 O5 S1
MOL WT : 341.51
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 3.41
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 578.31 (Adapted Stein & Brown method)
Melting Pt (deg C): 249.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.58E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 3.44E-013 (Modified Grain method)
Subcooled liquid VP: 7.05E-013 mm Hg (25 deg C, Mod-Grain method)
: 9.4E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8.482
log Kow used: 3.41 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.026648 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.03E-019 atm-m3/mole (1.04E-014 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: 1.367E-016 atm-m3/mole (1.385E-011 Pa-m3/mole)
VP: 2.58E-015 mm Hg (source: MPBPVP)
WS: 8.48 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.41 (KowWin est)
Log Kaw used: -17.376 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.786
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8521
Biowin2 (Non-Linear Model) : 0.7541
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9028 (weeks )
Biowin4 (Primary Survey Model) : 3.7535 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3912
Biowin6 (MITI Non-Linear Model): 0.2727
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2003
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): 9.4E-011 Pa (7.05E-013 mm Hg)
Log Koa (Koawin est ): 20.786
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.19E+004
Octanol/air (Koa) model: 1.5E+008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.1807 E-12 cm3/molecule-sec
Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.755 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1710 L/kg (MCI method)
Log Koc: 3.233 (MCI method)
Koc : 346.3 L/kg (Kow method)
Log Koc: 2.539 (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) = -0.8021 days (HL = 0.1577 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.728 (BCF = 53.42)
Log BAF Arnot-Gobas method (upper trophic) = 1.728 (BAF = 53.42)
log Kow used: 3.41 (estimated)
Volatilization from Water:
Henry LC: 1.03E-019 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.05E+016 hours (4.377E+014 days)
Half-Life from Model Lake : 1.146E+017 hours (4.775E+015 days)
Removal In Wastewater Treatment:
Total removal: 11.14 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 10.97 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 3.78e-006 7.51 1000
Water 16 360 1000
Soil 83.1 720 1000
Sediment 0.911 3.24e+003 0
Persistence Time: 787 hr