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: 3025-32-9



MOL FOR: C13 H22 O2

MOL WT : 210.32

------------------------------ 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) = 4.85

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

Boiling Pt (deg C): 275.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00701 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.935 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.769

log Kow used: 4.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.6801 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 1.00E-003 atm-m3/mole (1.01E+002 Pa-m3/mole)

Group Method: 1.81E-004 atm-m3/mole (1.84E+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: 7.006E-004 atm-m3/mole (7.099E+001 Pa-m3/mole)

VP: 0.00701 mm Hg (source: MPBPVP)

WS: 2.77 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.85 (KowWin est)

Log Kaw used: -1.388 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.238

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9300

Biowin2 (Non-Linear Model) : 0.9974

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1729 (weeks )

Biowin4 (Primary Survey Model) : 4.0423 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7523

Biowin6 (MITI Non-Linear Model): 0.8362

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3929

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): 0.971 Pa (0.00728 mm Hg)

Log Koa (Koawin est ): 6.238

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

Mackay model : 3.09E-006

Octanol/air (Koa) model: 4.25E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000112

Mackay model : 0.000247

Octanol/air (Koa) model: 3.4E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 58.1452 E-12 cm3/molecule-sec

Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.207 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec

Half-Life = 0.218 Days (at 7E11 mol/cm3)

Half-Life = 5.224 Hrs

Fraction sorbed to airborne particulates (phi):

0.000179 (Junge-Pankow, Mackay avg)

3.4E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1296 L/kg (MCI method)

Log Koc: 3.113 (MCI method)

Koc : 3485 L/kg (Kow method)

Log Koc: 3.542 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.497E-003 L/mol-sec

Kb Half-Life at pH 8: 2.929 years

Kb Half-Life at pH 7: 29.295 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.870 (BCF = 740.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2802 days (HL = 0.5246 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.330 (BCF = 214)

Log BAF Arnot-Gobas method (upper trophic) = 2.331 (BAF = 214.2)

log Kow used: 4.85 (estimated)

Volatilization from Water:

Henry LC: 0.000181 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6.171 hours

Half-Life from Model Lake : 188.9 hours (7.872 days)

Removal In Wastewater Treatment:

Total removal: 73.34 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 70.74 percent

Total to Air: 1.98 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.339 2.39 1000

Water 19.9 360 1000

Soil 78.9 720 1000

Sediment 0.878 3.24e+003 0

Persistence Time: 424 hr

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