SMILES : OC(C)CCCCCCCCCC
CHEM : 2-DODECANOL
CAS NUM: 010203-28-8
MOL FOR: C12 H26 O1
MOL WT : 186.34
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 4.70
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 257.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 17.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00286 (Mean VP of Antoine & Grain methods)
MP (exp database): 19 deg C
BP (exp database): 252 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 16.18
log Kow used: 4.70 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 13.078 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 9.63E-005 atm-m3/mole
Group Method: 2.56E-004 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 4.334E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.70 (KowWin est)
Log Kaw used: -2.405 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.105
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9260
Biowin2 (Non-Linear Model) : 0.9652
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2457 (weeks )
Biowin4 (Primary Survey Model) : 3.9774 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7138
Biowin6 (MITI Non-Linear Model): 0.8760
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5600
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.372 Pa (0.00279 mm Hg)
Log Koa (Koawin est ): 7.105
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.06E-006
Octanol/air (Koa) model: 3.13E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000291
Mackay model : 0.000645
Octanol/air (Koa) model: 0.00025
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.2795 E-12 cm3/molecule-sec
Half-Life = 0.503 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.032 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.000468 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 274.2
Log Koc: 2.438
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.916 (BCF = 82.44)
log Kow used: 4.70 (estimated)
Volatilization from Water:
Henry LC: 9.63E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 16.44 hours
Half-Life from Model Lake : 220.2 hours (9.175 days)
Removal In Wastewater Treatment:
Total removal: 66.79 percent
Total biodegradation: 0.58 percent
Total sludge adsorption: 64.74 percent
Total to Air: 1.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.18 12.1 1000
Water 18.1 360 1000
Soil 70 720 1000
Sediment 10.8 3.24e+003 0
Persistence Time: 495 hr