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 Number: 29710-33-6
SMILES : CCCCCCCCCCCCCCOC(=O)CCCCCC
CHEM :
MOL FOR: C21 H42 O2
MOL WT : 326.57
------------------------------ 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) = 9.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 372.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 99.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.6E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0048 (Modified Grain method)
MP (exp database): 28.9 deg C
Subcooled liquid VP: 3.9E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0052 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0001161
log Kow used: 9.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00010716 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.88E-002 atm-m3/mole (2.91E+003 Pa-m3/mole)
Group Method: 5.60E-002 atm-m3/mole (5.68E+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: 1.332E-001 atm-m3/mole (1.350E+004 Pa-m3/mole)
VP: 3.6E-005 mm Hg (source: MPBPVP)
WS: 0.000116 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 9.21 (KowWin est)
Log Kaw used: 0.071 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.139
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9831
Biowin2 (Non-Linear Model) : 0.9978
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2144 (weeks )
Biowin4 (Primary Survey Model) : 4.1437 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9746
Biowin6 (MITI Non-Linear Model): 0.9649
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6812
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): 0.0052 Pa (3.9E-005 mm Hg)
Log Koa (Koawin est ): 9.139
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000577
Octanol/air (Koa) model: 0.000338
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0204
Mackay model : 0.0441
Octanol/air (Koa) model: 0.0263
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.6091 E-12 cm3/molecule-sec
Half-Life = 0.435 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.216 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0323 (Junge-Pankow, Mackay avg)
0.0263 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.577E+005 L/kg (MCI method)
Log Koc: 5.198 (MCI method)
Koc : 8.992E+005 L/kg (Kow method)
Log Koc: 5.954 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.369E-002 L/mol-sec
Kb Half-Life at pH 8: 338.674 days
Kb Half-Life at pH 7: 9.272 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.443 (BCF = 277.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6903 days (HL = 4.901 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.831 (BCF = 6.777)
Log BAF Arnot-Gobas method (upper trophic) = 2.416 (BAF = 260.3)
log Kow used: 9.21 (estimated)
Volatilization from Water:
Henry LC: 0.056 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.863 hours
Half-Life from Model Lake : 171.9 hours (7.16 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.23 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.03 10.4 1000
Water 25 360 1000
Soil 72.6 720 1000
Sediment 1.42 3.24e+003 0
Persistence Time: 450 hr