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: 14234-82-3



MOL FOR: C12 H20 O4

MOL WT : 228.29

------------------------------ 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) = 4.01

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

Boiling Pt (deg C): 246.19 (Adapted Stein & Brown method)

Melting Pt (deg C): -49.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0334 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.45 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 11.63

log Kow used: 4.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 410.99 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.58E-007 atm-m3/mole (7.68E-002 Pa-m3/mole)

Group Method: 1.41E-007 atm-m3/mole (1.43E-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: 8.627E-004 atm-m3/mole (8.741E+001 Pa-m3/mole)

VP: 0.0334 mm Hg (source: MPBPVP)

WS: 11.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.01 (KowWin est)

Log Kaw used: -4.509 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.519

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9872

Biowin2 (Non-Linear Model) : 0.9996

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9751 (weeks )

Biowin4 (Primary Survey Model) : 3.9763 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7320

Biowin6 (MITI Non-Linear Model): 0.8350

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4347

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): 4.31 Pa (0.0323 mm Hg)

Log Koa (Koawin est ): 8.519

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

Mackay model : 6.97E-007

Octanol/air (Koa) model: 8.11E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.52E-005

Mackay model : 5.57E-005

Octanol/air (Koa) model: 0.00645

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.0267 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 16.9577 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 8.009 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 7.569 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.087500 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 13.097 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 6.549 Days (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

4.04E-005 (Junge-Pankow, Mackay avg)

0.00645 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 74.23 L/kg (MCI method)

Log Koc: 1.871 (MCI method)

Koc : 1028 L/kg (Kow method)

Log Koc: 3.012 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.220E-001 L/mol-sec

Kb Half-Life at pH 8: 19.009 days

Kb Half-Life at pH 7: 190.087 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.315 (BCF = 206.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5662 days (HL = 0.02715 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.097 (BCF = 12.49)

Log BAF Arnot-Gobas method (upper trophic) = 1.097 (BAF = 12.49)

log Kow used: 4.01 (estimated)

Volatilization from Water:

Henry LC: 1.41E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6275 hours (261.5 days)

Half-Life from Model Lake : 6.859E+004 hours (2858 days)

Removal In Wastewater Treatment:

Total removal: 30.53 percent

Total biodegradation: 0.32 percent

Total sludge adsorption: 30.20 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.895 15.2 1000

Water 26 360 1000

Soil 73 720 1000

Sediment 0.126 3.24e+003 0

Persistence Time: 510 hr

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