BT

The Good Scents Company Information Listings

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: 61791-42-2

SMILES : CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O[Na]

CHEM : Ethanesulfonic acid, 2-(methylamino)-, N-coco acyl derivs.,sodium sal

ts

MOL FOR: C15 H30 N1 O4 S1 Na1

MOL WT : 343.46

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = -0.44

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 667.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 290.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.42E-015 (Modified Grain method)

VP (Pa, 25 deg C) : 1.89E-013 (Modified Grain method)

Subcooled liquid VP: 1.27E-012 mm Hg (25 deg C, Mod-Grain method)

: 1.69E-010 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.625e+004

log Kow used: -0.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6304 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.09E-013 atm-m3/mole (2.12E-008 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: 3.949E-020 atm-m3/mole (4.001E-015 Pa-m3/mole)

VP: 1.42E-015 mm Hg (source: MPBPVP)

WS: 1.63E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.44 (KowWin est)

Log Kaw used: -11.068 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.628

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0214

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9255 (weeks )

Biowin4 (Primary Survey Model) : 4.0356 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4762

Biowin6 (MITI Non-Linear Model): 0.3371

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1032

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): 1.69E-010 Pa (1.27E-012 mm Hg)

Log Koa (Koawin est ): 10.628

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.77E+004

Octanol/air (Koa) model: 0.0104

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.455

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.9660 E-12 cm3/molecule-sec

Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.381 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.455 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 194.7 L/kg (MCI method)

Log Koc: 2.289 (MCI method)

Koc : 4.309 L/kg (Kow method)

Log Koc: 0.634 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6187 days (HL = 0.02406 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.477 (BCF = 2.999)

Log BAF Arnot-Gobas method (upper trophic) = 0.477 (BAF = 2.999)

log Kow used: 1.70 (estimated)

Volatilization from Water:

Henry LC: 2.09E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.192E+009 hours (2.163E+008 days)

Half-Life from Model Lake : 5.664E+010 hours (2.36E+009 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.418 6.76 1000

Water 23.3 360 1000

Soil 76.1 720 1000

Sediment 0.218 3.24e+003 0

Persistence Time: 531 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy