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: 001329-99-3


CHEM : Cyclohexane, 1-methyl-4-(1-methylethyl)-, tetradehydro deriv.

MOL FOR: C10 H20

MOL WT : 140.27

------------------------------ 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) = 4.92

Log Kow (Exper. database match) = 5.56


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

Boiling Pt (deg C): 154.91 (Adapted Stein & Brown method)

Melting Pt (deg C): -52.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.91 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 255 (Mean VP of Antoine & Grain methods)

MP (exp database): -89.9 deg C

BP (exp database): 172 deg C

VP (exp database): 2.69E+00 mm Hg (3.59E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.4331

log Kow used: 5.56 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.28 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.0524 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.92E-001 atm-m3/mole (8.03E+004 Pa-m3/mole)

Group Method: 1.34E+000 atm-m3/mole (1.36E+005 Pa-m3/mole)

Exper Database: 1.76E+00 atm-m3/mole (1.78E+005 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: 8.139E-001 atm-m3/mole (8.247E+004 Pa-m3/mole)

VP: 1.91 mm Hg (source: MPBPVP)

WS: 0.433 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.56 (exp database)

Log Kaw used: 1.857 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.703

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6808

Biowin2 (Non-Linear Model) : 0.7344

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8892 (weeks )

Biowin4 (Primary Survey Model) : 3.6454 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3492

Biowin6 (MITI Non-Linear Model): 0.2936

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0304

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.8996

BioHC Half-Life (days) : 7.9362

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

Vapor pressure (liquid/subcooled): 359 Pa (2.69 mm Hg)

Log Koa (Koawin est ): 3.703

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

Mackay model : 8.36E-009

Octanol/air (Koa) model: 1.24E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.02E-007

Mackay model : 6.69E-007

Octanol/air (Koa) model: 9.91E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.0853 E-12 cm3/molecule-sec

Half-Life = 0.709 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.508 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.86E-007 (Junge-Pankow, Mackay avg)

9.91E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1120 L/kg (MCI method)

Log Koc: 3.049 (MCI method)

Koc : 6.685E+004 L/kg (Kow method)

Log Koc: 4.825 (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 = 3.335 (BCF = 2165 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7663 days (HL = 5.839 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.308 (BCF = 2033)

Log BAF Arnot-Gobas method (upper trophic) = 3.497 (BAF = 3138)

log Kow used: 5.56 (expkow database)

Volatilization from Water:

Henry LC: 1.76 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.209 hours

Half-Life from Model Lake : 112.5 hours (4.687 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.86 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 56.41 percent

Total to Air: 43.28 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 19.6 17 1000

Water 75.2 360 1000

Soil 2.34 720 1000

Sediment 2.88 3.24e+003 0

Persistence Time: 82.3 hr

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