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 Num: 000097-87-0



MOL FOR: C8 H16 O2

MOL WT : 144.22

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.76

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

Boiling Pt (deg C): 157.09 (Adapted Stein & Brown method)

Melting Pt (deg C): -43.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.18 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 423 (Mean VP of Antoine & Grain methods)

MP (exp database): <25 deg C

BP (exp database): 155 deg C

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

Water Solubility at 25 deg C (mg/L): 356.7

log Kow used: 2.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 759.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.23E-004 atm-m3/mole (7.33E+001 Pa-m3/mole)

Group Method: 9.74E-004 atm-m3/mole (9.87E+001 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: 1.692E-003 atm-m3/mole (1.714E+002 Pa-m3/mole)

VP: 3.18 mm Hg (source: MPBPVP)

WS: 357 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.76 (KowWin est)

Log Kaw used: -1.529 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.289

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9615

Biowin2 (Non-Linear Model) : 0.9990

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3190 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1377 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7256

Biowin6 (MITI Non-Linear Model): 0.8865

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3636

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): 387 Pa (2.9 mm Hg)

Log Koa (Koawin est ): 4.289

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

Mackay model : 7.76E-009

Octanol/air (Koa) model: 4.78E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.8E-007

Mackay model : 6.21E-007

Octanol/air (Koa) model: 3.82E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.5032 E-12 cm3/molecule-sec

Half-Life = 1.944 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 23.323 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.5E-007 (Junge-Pankow, Mackay avg)

3.82E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 55.32 L/kg (MCI method)

Log Koc: 1.743 (MCI method)

Koc : 243.3 L/kg (Kow method)

Log Koc: 2.386 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.709E-002 L/mol-sec

Kb Half-Life at pH 8: 216.263 days

Kb Half-Life at pH 7: 5.921 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.485 (BCF = 30.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1699 days (HL = 0.06763 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.265 (BCF = 18.41)

Log BAF Arnot-Gobas method (upper trophic) = 1.265 (BAF = 18.41)

log Kow used: 2.76 (estimated)

Volatilization from Water:

Henry LC: 0.000974 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.947 hours

Half-Life from Model Lake : 121.9 hours (5.081 days)

Removal In Wastewater Treatment:

Total removal: 31.55 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 3.28 percent

Total to Air: 28.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 16 46.7 1000

Water 34.6 208 1000

Soil 49.2 416 1000

Sediment 0.127 1.87e+003 0

Persistence Time: 159 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy