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CAS Number: 281-23-2
SMILES : C(CC(CC1CC23)C3)(C1)C2
CHEM : Tricyclo 3.3.1.13,7 decane
MOL FOR: C10 H16
MOL WT : 136.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 3.94
Log Kow (Exper. database match) = 4.24
Exper. Ref: SANGSTER (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 171.25 (Adapted Stein & Brown method)
Melting Pt (deg C): -19.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0225 (Modified Grain method)
VP (Pa, 25 deg C) : 2.99 (Modified Grain method)
MP (exp database): 205 deg C
Subcooled liquid VP: 1.8 mm Hg (25 deg C, Mod-Grain method)
: 240 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.033
log Kow used: 4.24 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.60692 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.54E-001 atm-m3/mole (1.56E+004 Pa-m3/mole)
Group Method: 2.13E-002 atm-m3/mole (2.16E+003 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: 6.686E-004 atm-m3/mole (6.774E+001 Pa-m3/mole)
VP: 0.0225 mm Hg (source: MPBPVP)
WS: 6.03 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.24 (exp database)
Log Kaw used: 0.799 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.441
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6827
Biowin2 (Non-Linear Model) : 0.7454
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8981 (weeks )
Biowin4 (Primary Survey Model) : 3.6512 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4750
Biowin6 (MITI Non-Linear Model): 0.3761
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2738
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.7129
BioHC Half-Life (days) : 51.6328
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 240 Pa (1.8 mm Hg)
Log Koa (Koawin est ): 3.441
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.25E-008
Octanol/air (Koa) model: 6.78E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.51E-007
Mackay model : 1E-006
Octanol/air (Koa) model: 5.42E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.9186 E-12 cm3/molecule-sec
Half-Life = 0.467 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.600 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.26E-007 (Junge-Pankow, Mackay avg)
5.42E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1424 L/kg (MCI method)
Log Koc: 3.154 (MCI method)
Koc : 4781 L/kg (Kow method)
Log Koc: 3.679 (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 v3.01):
Log BCF from regression-based method = 2.465 (BCF = 291.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6923 days (HL = 4.924 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.979 (BCF = 953.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.988 (BAF = 971.9)
log Kow used: 4.24 (expkow database)
Volatilization from Water:
Henry LC: 0.154 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.196 hours
Half-Life from Model Lake : 110.9 hours (4.621 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.67 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 24.92 percent
Total to Air: 73.65 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 12.1 11.4 1000
Water 65.6 360 1000
Soil 19.2 720 1000
Sediment 3.16 3.24e+003 0
Persistence Time: 93.7 hr