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CAS Number: 17302-37-3
SMILES : CC(CCCCCCCC)(C)C
CHEM : 2,2-DIMETHYLDECANE
MOL FOR: C12 H26
MOL WT : 170.34
------------------------------ 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) = 6.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 185.62 (Adapted Stein & Brown method)
Melting Pt (deg C): -25.51 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.02 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 136 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1049
log Kow used: 6.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.022786 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.35E+000 atm-m3/mole (9.47E+005 Pa-m3/mole)
Group Method: 1.62E+001 atm-m3/mole (1.64E+006 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: 2.179E+000 atm-m3/mole (2.208E+005 Pa-m3/mole)
VP: 1.02 mm Hg (source: MPBPVP)
WS: 0.105 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.12 (KowWin est)
Log Kaw used: 2.582 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.538
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5910
Biowin2 (Non-Linear Model) : 0.6705
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9090 (weeks )
Biowin4 (Primary Survey Model) : 3.7176 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6205
Biowin6 (MITI Non-Linear Model): 0.7486
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0478
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.2416
BioHC Half-Life (days) : 17.4405
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 124 Pa (0.931 mm Hg)
Log Koa (Koawin est ): 3.538
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.42E-008
Octanol/air (Koa) model: 8.47E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.73E-007
Mackay model : 1.93E-006
Octanol/air (Koa) model: 6.78E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.2962 E-12 cm3/molecule-sec
Half-Life = 1.039 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 12.466 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.4E-006 (Junge-Pankow, Mackay avg)
6.78E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3152 L/kg (MCI method)
Log Koc: 3.499 (MCI method)
Koc : 2.047E+005 L/kg (Kow method)
Log Koc: 5.311 (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 = 2.333 (BCF = 215.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7936 days (HL = 6.217 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.275 (BCF = 1885)
Log BAF Arnot-Gobas method (upper trophic) = 3.777 (BAF = 5980)
log Kow used: 6.12 (estimated)
Volatilization from Water:
Henry LC: 9.35 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.332 hours
Half-Life from Model Lake : 124 hours (5.165 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.94 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 59.03 percent
Total to Air: 40.74 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 23.4 24.9 1000
Water 68.7 360 1000
Soil 1.45 720 1000
Sediment 6.42 3.24e+003 0
Persistence Time: 91.8 hr