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: 211184-48-4



MOL FOR: C31 H62 N2 O5

MOL WT : 542.85

------------------------------ 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) = 5.92

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

Boiling Pt (deg C): 693.12 (Adapted Stein & Brown method)

Melting Pt (deg C): 302.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.27E-021 (Modified Grain method)

VP (Pa, 25 deg C) : 5.69E-019 (Modified Grain method)

Subcooled liquid VP: 5.43E-018 mm Hg (25 deg C, Mod-Grain method)

: 7.25E-016 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.003319

log Kow used: 5.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.12516 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.75E-015 atm-m3/mole (2.78E-010 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: 9.189E-019 atm-m3/mole (9.311E-014 Pa-m3/mole)

VP: 4.27E-021 mm Hg (source: MPBPVP)

WS: 0.00332 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.92 (KowWin est)

Log Kaw used: -12.949 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 18.869

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.6025

Biowin2 (Non-Linear Model) : 0.9996

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9677 (weeks )

Biowin4 (Primary Survey Model) : 4.4019 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0688

Biowin6 (MITI Non-Linear Model): 0.9396

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1861

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 7.24E-016 Pa (5.43E-018 mm Hg)

Log Koa (Koawin est ): 18.869

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

Mackay model : 4.14E+009

Octanol/air (Koa) model: 1.82E+006

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 = 100.6739 E-12 cm3/molecule-sec

Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.275 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 : 4.99E+004 L/kg (MCI method)

Log Koc: 4.698 (MCI method)

Koc : 1914 L/kg (Kow method)

Log Koc: 3.282 (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 = 2.200 (BCF = 158.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4879 days (HL = 0.03252 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.103 (BCF = 12.68)

Log BAF Arnot-Gobas method (upper trophic) = 1.103 (BAF = 12.68)

log Kow used: 5.92 (estimated)

Volatilization from Water:

Henry LC: 2.75E-015 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.96E+011 hours (2.067E+010 days)

Half-Life from Model Lake : 5.411E+012 hours (2.255E+011 days)

Removal In Wastewater Treatment:

Total removal: 91.78 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.01 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 0.173 2.55 1000

Water 16.8 360 1000

Soil 60.7 720 1000

Sediment 22.3 3.24e+003 0

Persistence Time: 619 hr

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