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: 000515-03-7
SMILES : OC(C=C)(CCC(C(C(C(CC1)(C)C)CC2)(C1)C)C2(O)C)C
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