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: 000473-03-0


CHEM : 2-Naphthalenol, 1- 6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methyl-3-

hexenyl decahydro-2,5,5,8a-tetramethyl-, 1R- 1.a

MOL FOR: C30 H52 O1

MOL WT : 428.75

------------------------------ 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) = 11.68

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

Boiling Pt (deg C): 457.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 186.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.35E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 9.79E-009 (Modified Grain method)

Subcooled liquid VP: 3.58E-009 mm Hg (25 deg C, Mod-Grain method)

: 4.77E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6.895e-007

log Kow used: 11.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.3615e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.80E-004 atm-m3/mole (7.91E+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: 6.014E-005 atm-m3/mole (6.093E+000 Pa-m3/mole)

VP: 7.35E-011 mm Hg (source: MPBPVP)

WS: 6.9E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.68 (KowWin est)

Log Kaw used: -1.496 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.176

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1923

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.4032 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.6154 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1213

Biowin6 (MITI Non-Linear Model): 0.0081

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.0162

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): 4.77E-007 Pa (3.58E-009 mm Hg)

Log Koa (Koawin est ): 13.176

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

Mackay model : 6.28

Octanol/air (Koa) model: 3.68

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.996

Mackay model : 0.998

Octanol/air (Koa) model: 0.997

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 176.7438 E-12 cm3/molecule-sec

Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.726 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec

Half-Life = 0.026 Days (at 7E11 mol/cm3)

Half-Life = 37.336 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.997 (Junge-Pankow, Mackay avg)

0.997 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.419E+006 L/kg (MCI method)

Log Koc: 6.734 (MCI method)

Koc : 9.424E+006 L/kg (Kow method)

Log Koc: 6.974 (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 = 1.829 (BCF = 67.41 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.3254 days (HL = 2115 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.372 (BCF = 2.357)

Log BAF Arnot-Gobas method (upper trophic) = 3.852 (BAF = 7118)

log Kow used: 11.68 (estimated)

Volatilization from Water:

Henry LC: 0.00078 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.667 hours

Half-Life from Model Lake : 213.6 hours (8.901 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00453 0.436 1000

Water 6.38 4.32e+003 1000

Soil 93.4 8.64e+003 1000

Sediment 0.187 3.89e+004 0

Persistence Time: 4.51e+003 hr

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