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: 5129-63-5



MOL FOR: C11 H22 O2

MOL WT : 186.30

------------------------------ 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) = 4.23

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

Boiling Pt (deg C): 218.34 (Adapted Stein & Brown method)

Melting Pt (deg C): -9.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.143 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 19 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 12.56

log Kow used: 4.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 24.028 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.69E-003 atm-m3/mole (1.71E+002 Pa-m3/mole)

Group Method: 2.23E-003 atm-m3/mole (2.26E+002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.791E-003 atm-m3/mole (2.828E+002 Pa-m3/mole)

VP: 0.143 mm Hg (source: MPBPVP)

WS: 12.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.23 (KowWin est)

Log Kaw used: -1.161 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.391

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8330

Biowin2 (Non-Linear Model) : 0.9884

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9277 (weeks )

Biowin4 (Primary Survey Model) : 3.8079 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7487

Biowin6 (MITI Non-Linear Model): 0.8937

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7593

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): 17.7 Pa (0.133 mm Hg)

Log Koa (Koawin est ): 5.391

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

Mackay model : 1.69E-007

Octanol/air (Koa) model: 6.04E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.11E-006

Mackay model : 1.35E-005

Octanol/air (Koa) model: 4.83E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.6443 E-12 cm3/molecule-sec

Half-Life = 1.005 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.058 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.82E-006 (Junge-Pankow, Mackay avg)

4.83E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 343.5 L/kg (MCI method)

Log Koc: 2.536 (MCI method)

Koc : 1582 L/kg (Kow method)

Log Koc: 3.199 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.634E-002 L/mol-sec

Kb Half-Life at pH 8: 120.916 days

Kb Half-Life at pH 7: 3.310 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.457 (BCF = 286.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7866 days (HL = 0.1635 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.829 (BCF = 67.5)

Log BAF Arnot-Gobas method (upper trophic) = 1.829 (BAF = 67.5)

log Kow used: 4.23 (estimated)

Volatilization from Water:

Henry LC: 0.00223 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.751 hours

Half-Life from Model Lake : 133.6 hours (5.565 days)

Removal In Wastewater Treatment:

Total removal: 64.56 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 34.35 percent

Total to Air: 29.93 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.87 24.1 1000

Water 26.7 360 1000

Soil 66.1 720 1000

Sediment 0.387 3.24e+003 0

Persistence Time: 245 hr

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