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: 040716-66-3



MOL FOR: C15 H26 O1

MOL WT : 222.37

------------------------------ 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) = 5.68

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

Boiling Pt (deg C): 291.92 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000592 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.0789 (Mean VP of Antoine & Grain methods)

MP (exp database): < 25 deg C

BP (exp database): 122 @ 3 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1.532

log Kow used: 5.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.6761 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.81E-004 atm-m3/mole (1.83E+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: 1.131E-004 atm-m3/mole (1.146E+001 Pa-m3/mole)

VP: 0.000592 mm Hg (source: MPBPVP)

WS: 1.53 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.68 (KowWin est)

Log Kaw used: -2.131 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.811

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4577

Biowin2 (Non-Linear Model) : 0.1333

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4956 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3735 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3484

Biowin6 (MITI Non-Linear Model): 0.1741

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0801

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): 0.0828 Pa (0.000621 mm Hg)

Log Koa (Koawin est ): 7.811

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

Mackay model : 3.62E-005

Octanol/air (Koa) model: 1.59E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00131

Mackay model : 0.00289

Octanol/air (Koa) model: 0.00127

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 208.9768 E-12 cm3/molecule-sec

Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.614 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.175003 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.150 Min

Fraction sorbed to airborne particulates (phi):

0.0021 (Junge-Pankow, Mackay avg)

0.00127 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1332 L/kg (MCI method)

Log Koc: 3.124 (MCI method)

Koc : 4523 L/kg (Kow method)

Log Koc: 3.655 (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 v3.00):

Log BCF from regression-based method = 3.413 (BCF = 2590 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9108 days (HL = 8.142 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.430 (BCF = 2692)

Log BAF Arnot-Gobas method (upper trophic) = 3.786 (BAF = 6116)

log Kow used: 5.68 (estimated)

Volatilization from Water:

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

Half-Life from Model River: 6.345 hours

Half-Life from Model Lake : 194.3 hours (8.094 days)

Removal In Wastewater Treatment:

Total removal: 90.25 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 89.14 percent

Total to Air: 0.36 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0187 0.253 1000

Water 13 900 1000

Soil 86 1.8e+003 1000

Sediment 0.946 8.1e+003 0

Persistence Time: 929 hr

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