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: 013487-27-9


CHEM : Cyclohexanemethanol, .alpha.-methyl-, acetate

MOL FOR: C10 H18 O2

MOL WT : 170.25

------------------------------ 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) = 3.55

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

Boiling Pt (deg C): 207.63 (Adapted Stein & Brown method)

Melting Pt (deg C): -14.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.246 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 32.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 56.85

log Kow used: 3.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 503.85 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 5.62E-004 atm-m3/mole (5.69E+001 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: 9.693E-004 atm-m3/mole (9.822E+001 Pa-m3/mole)

VP: 0.246 mm Hg (source: MPBPVP)

WS: 56.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.55 (KowWin est)

Log Kaw used: -1.639 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.189

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8407

Biowin2 (Non-Linear Model) : 0.9907

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9631 (weeks )

Biowin4 (Primary Survey Model) : 3.8311 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6106

Biowin6 (MITI Non-Linear Model): 0.7406

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1223

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): 30.1 Pa (0.226 mm Hg)

Log Koa (Koawin est ): 5.189

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

Mackay model : 9.96E-008

Octanol/air (Koa) model: 3.79E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.6E-006

Mackay model : 7.96E-006

Octanol/air (Koa) model: 3.03E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.7027 E-12 cm3/molecule-sec

Half-Life = 0.727 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.730 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.78E-006 (Junge-Pankow, Mackay avg)

3.03E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 187.7 L/kg (MCI method)

Log Koc: 2.273 (MCI method)

Koc : 665.5 L/kg (Kow method)

Log Koc: 2.823 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.082E-002 L/mol-sec

Kb Half-Life at pH 8: 88.325 days

Kb Half-Life at pH 7: 2.418 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.010 (BCF = 102.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8499 days (HL = 0.1413 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.714 (BCF = 51.73)

Log BAF Arnot-Gobas method (upper trophic) = 1.714 (BAF = 51.73)

log Kow used: 3.55 (estimated)

Volatilization from Water:

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

Half-Life from Model River: 3.993 hours

Half-Life from Model Lake : 153 hours (6.374 days)

Removal In Wastewater Treatment:

Total removal: 23.70 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 13.28 percent

Total to Air: 10.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.87 17.5 1000

Water 23 360 1000

Soil 74 720 1000

Sediment 0.209 3.24e+003 0

Persistence Time: 356 hr

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