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: 71493-03-3



MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ 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) = 4.98

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

Boiling Pt (deg C): 297.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 83.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00114 (Modified Grain method)

VP (Pa, 25 deg C) : 0.151 (Modified Grain method)

Subcooled liquid VP: 0.00407 mm Hg (25 deg C, Mod-Grain method)

: 0.543 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.918

log Kow used: 4.98 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19.83 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.00E-004 atm-m3/mole (3.04E+001 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: 1.723E-004 atm-m3/mole (1.746E+001 Pa-m3/mole)

VP: 0.00114 mm Hg (source: MPBPVP)

WS: 1.92 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.98 (KowWin est)

Log Kaw used: -1.911 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.891

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2816

Biowin2 (Non-Linear Model) : 0.0176

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2655 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2007 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4285

Biowin6 (MITI Non-Linear Model): 0.2602

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1767

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.543 Pa (0.00407 mm Hg)

Log Koa (Koawin est ): 6.891

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

Mackay model : 5.53E-006

Octanol/air (Koa) model: 1.91E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0002

Mackay model : 0.000442

Octanol/air (Koa) model: 0.000153

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 95.2856 E-12 cm3/molecule-sec

Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.347 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000321 (Junge-Pankow, Mackay avg)

0.000153 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1968 L/kg (MCI method)

Log Koc: 3.294 (MCI method)

Koc : 7504 L/kg (Kow method)

Log Koc: 3.875 (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 = 2.952 (BCF = 895.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8720 days (HL = 7.447 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.345 (BCF = 2213)

Log BAF Arnot-Gobas method (upper trophic) = 3.432 (BAF = 2701)

log Kow used: 4.98 (estimated)

Volatilization from Water:

Henry LC: 0.0003 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.412 hours

Half-Life from Model Lake : 172.6 hours (7.192 days)

Removal In Wastewater Treatment:

Total removal: 78.08 percent

Total biodegradation: 0.65 percent

Total sludge adsorption: 75.03 percent

Total to Air: 2.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0404 0.517 1000

Water 11.7 900 1000

Soil 87 1.8e+003 1000

Sediment 1.29 8.1e+003 0

Persistence Time: 919 hr

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