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: 000529-33-9
SMILES : c1cc2C(O)CCCc2cc1
CHEM : 1-Naphthalenol, 1,2,3,4-tetrahydro-
MOL FOR: C10 H12 O1
MOL WT : 148.21
------------------------------ 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) = 2.42
Log Kow (Exper. database match) = 1.98
Exper. Ref: SANGSTER (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 259.49 (Adapted Stein & Brown method)
Melting Pt (deg C): 40.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00126 (Modified Grain method)
VP (Pa, 25 deg C) : 0.168 (Modified Grain method)
BP (exp database): 102-104 @ 2 mm Hg deg C
Subcooled liquid VP: 0.00175 mm Hg (25 deg C, Mod-Grain method)
: 0.234 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5093
log Kow used: 1.98 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2872.6 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Benzyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.86E-007 atm-m3/mole (1.89E-002 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: 4.825E-008 atm-m3/mole (4.889E-003 Pa-m3/mole)
VP: 0.00126 mm Hg (source: MPBPVP)
WS: 5.09E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.98 (exp database)
Log Kaw used: -5.119 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.099
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8904
Biowin2 (Non-Linear Model) : 0.9308
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9568 (weeks )
Biowin4 (Primary Survey Model) : 3.6948 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4392
Biowin6 (MITI Non-Linear Model): 0.5848
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2584
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): 0.233 Pa (0.00175 mm Hg)
Log Koa (Koawin est ): 7.099
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.29E-005
Octanol/air (Koa) model: 3.08E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000464
Mackay model : 0.00103
Octanol/air (Koa) model: 0.000247
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.2970 E-12 cm3/molecule-sec
Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.015 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000746 (Junge-Pankow, Mackay avg)
0.000247 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 121.6 L/kg (MCI method)
Log Koc: 2.085 (MCI method)
Koc : 40.63 L/kg (Kow method)
Log Koc: 1.609 (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 = 0.973 (BCF = 9.406 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6637 days (HL = 0.2169 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.965 (BCF = 9.228)
Log BAF Arnot-Gobas method (upper trophic) = 0.965 (BAF = 9.228)
log Kow used: 1.98 (expkow database)
Volatilization from Water:
Henry LC: 1.86E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3833 hours (159.7 days)
Half-Life from Model Lake : 4.192E+004 hours (1747 days)
Removal In Wastewater Treatment:
Total removal: 2.24 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.13 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.907 14 1000
Water 25.1 360 1000
Soil 73.8 720 1000
Sediment 0.167 3.24e+003 0
Persistence Time: 504 hr