SMILES : CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
CHEM : METHYL N-TETRACOSANOATE
CAS NUM: 002442-49-1
MOL FOR: C25 H50 O2
MOL WT : 382.68
------------------------------ 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) = 11.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 418.61 (Adapted Stein & Brown method)
Melting Pt (deg C): 135.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.25E-007 (Modified Grain method)
Subcooled liquid VP: 2.92E-006 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.116e-006
log Kow used: 11.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.9296e-007 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 8.93E-002 atm-m3/mole
Group Method: 2.34E-001 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.015E-001 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.18 (KowWin est)
Log Kaw used: 0.562 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.618
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8480
Biowin2 (Non-Linear Model) : 0.9706
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7921 (weeks )
Biowin4 (Primary Survey Model) : 3.7937 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0054
Biowin6 (MITI Non-Linear Model): 0.9681
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1028
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): 0.000389 Pa (2.92E-006 mm Hg)
Log Koa (Koawin est ): 10.618
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00771
Octanol/air (Koa) model: 0.0102
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.218
Mackay model : 0.381
Octanol/air (Koa) model: 0.449
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.1508 E-12 cm3/molecule-sec
Half-Life = 0.355 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.257 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.3 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2.458E+006
Log Koc: 6.391
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 3.016E-002 L/mol-sec
Kb Half-Life at pH 8: 266.000 days
Kb Half-Life at pH 7: 7.283 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 11.18 (estimated)
Volatilization from Water:
Henry LC: 0.234 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.723 hours
Half-Life from Model Lake : 185.9 hours (7.744 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.266 8.51 1000
Water 3.68 360 1000
Soil 29.1 720 1000
Sediment 67 3.24e+003 0
Persistence Time: 1.27e+003 hr