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CAS Num: 000515-03-7


CHEM : 1-Naphthalenepropanol, .alpha.-ethenyldecahydro-2-hydroxy-.alpha.,2,5

,5,8a-pentamethyl-, 1R- 1.alpha.(R*),2.beta.,4a.

MOL FOR: C20 H36 O2

MOL WT : 308.51

------------------------------ 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) = 6.00

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

Boiling Pt (deg C): 370.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 138.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00306 (Modified Grain method)

VP (Pa, 25 deg C) : 0.409 (Modified Grain method)

MP (exp database): 96-98 deg C

BP (exp database): 218-220 deg C

Subcooled liquid VP: 0.0149 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.08174

log Kow used: 6.00 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.4915 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 : 3.11E-006 atm-m3/mole (3.15E-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: 1.520E-002 atm-m3/mole (1.540E+003 Pa-m3/mole)

VP: 0.00306 mm Hg (source: MPBPVP)

WS: 0.0817 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.00 (KowWin est)

Log Kaw used: -3.896 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.896

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1350

Biowin2 (Non-Linear Model) : 0.0003

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.6689 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.7889 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3078

Biowin6 (MITI Non-Linear Model): 0.0563

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.5885

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): 1.99 Pa (0.0149 mm Hg)

Log Koa (Koawin est ): 9.896

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

Mackay model : 1.51E-006

Octanol/air (Koa) model: 0.00193

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.45E-005

Mackay model : 0.000121

Octanol/air (Koa) model: 0.134

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 58.6749 E-12 cm3/molecule-sec

Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.188 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

8.77E-005 (Junge-Pankow, Mackay avg)

0.134 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1409 L/kg (MCI method)

Log Koc: 3.149 (MCI method)

Koc : 2636 L/kg (Kow method)

Log Koc: 3.421 (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 = 3.628 (BCF = 4247 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0478 days (HL = 11.16 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.519 (BCF = 3305)

Log BAF Arnot-Gobas method (upper trophic) = 4.259 (BAF = 1.815e+004)

log Kow used: 6.00 (estimated)

Volatilization from Water:

Henry LC: 3.11E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 332.5 hours (13.85 days)

Half-Life from Model Lake : 3774 hours (157.3 days)

Removal In Wastewater Treatment:

Total removal: 92.15 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.38 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 0.0491 4.26 1000

Water 7.42 4.32e+003 1000

Soil 91.7 8.64e+003 1000

Sediment 0.851 3.89e+004 0

Persistence Time: 4.08e+003 hr

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