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: 014481-55-1



MOL FOR: C15 H26 O2

MOL WT : 238.37

------------------------------ 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) = 5.81

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

Boiling Pt (deg C): 288.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 53.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00195 (Modified Grain method)

VP (Pa, 25 deg C) : 0.26 (Modified Grain method)

Subcooled liquid VP: 0.00353 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.299

log Kow used: 5.81 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.0095 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.41E-003 atm-m3/mole (2.44E+002 Pa-m3/mole)

Group Method: 2.87E-004 atm-m3/mole (2.91E+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: 2.046E-003 atm-m3/mole (2.073E+002 Pa-m3/mole)

VP: 0.00195 mm Hg (source: MPBPVP)

WS: 0.299 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.81 (KowWin est)

Log Kaw used: -1.006 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.816

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7327

Biowin2 (Non-Linear Model) : 0.9786

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8988 (weeks )

Biowin4 (Primary Survey Model) : 3.8484 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6420

Biowin6 (MITI Non-Linear Model): 0.6140

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2785

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): 0.471 Pa (0.00353 mm Hg)

Log Koa (Koawin est ): 6.816

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

Mackay model : 6.37E-006

Octanol/air (Koa) model: 1.61E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00023

Mackay model : 0.00051

Octanol/air (Koa) model: 0.000129

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.7766 E-12 cm3/molecule-sec

Half-Life = 0.109 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.313 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):

0.00037 (Junge-Pankow, Mackay avg)

0.000129 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2812 L/kg (MCI method)

Log Koc: 3.449 (MCI method)

Koc : 1.184E+004 L/kg (Kow method)

Log Koc: 4.073 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.302E-003 L/mol-sec

Kb Half-Life at pH 8: 4.143 years

Kb Half-Life at pH 7: 41.428 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.501 (BCF = 3168 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0658 days (HL = 1.164 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.632 (BCF = 428.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.651 (BAF = 448.2)

log Kow used: 5.81 (estimated)

Volatilization from Water:

Henry LC: 0.000287 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.725 hours

Half-Life from Model Lake : 181 hours (7.542 days)

Removal In Wastewater Treatment:

Total removal: 91.23 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.06 percent

Total to Air: 0.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0767 0.514 1000

Water 18.6 360 1000

Soil 79.8 720 1000

Sediment 1.61 3.24e+003 0

Persistence Time: 425 hr

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