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: 27214-38-6
SMILES : O=C(OCC(O)CO)CCCCCCCCCCCCC
CHEM : Tetradecanoic acid, monoester with 1,2,3-propanetriol
MOL FOR: C17 H34 O4
MOL WT : 302.46
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 4.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 401.94 (Adapted Stein & Brown method)
Melting Pt (deg C): 139.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.81E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 6.41E-007 (Modified Grain method)
Subcooled liquid VP: 6.8E-008 mm Hg (25 deg C, Mod-Grain method)
: 9.07E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.265
log Kow used: 4.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 13.805 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.24E-008 atm-m3/mole (1.25E-003 Pa-m3/mole)
Group Method: 3.08E-012 atm-m3/mole (3.12E-007 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: 1.513E-009 atm-m3/mole (1.533E-004 Pa-m3/mole)
VP: 4.81E-009 mm Hg (source: MPBPVP)
WS: 1.26 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.65 (KowWin est)
Log Kaw used: -6.295 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.945
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2036
Biowin2 (Non-Linear Model) : 0.9990
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2893 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1683 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1199
Biowin6 (MITI Non-Linear Model): 0.9849
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0742
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): 9.07E-006 Pa (6.8E-008 mm Hg)
Log Koa (Koawin est ): 10.945
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.331
Octanol/air (Koa) model: 0.0216
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.923
Mackay model : 0.964
Octanol/air (Koa) model: 0.634
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.2143 E-12 cm3/molecule-sec
Half-Life = 0.332 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.984 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.943 (Junge-Pankow, Mackay avg)
0.634 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 96.67 L/kg (MCI method)
Log Koc: 1.985 (MCI method)
Koc : 406.1 L/kg (Kow method)
Log Koc: 2.609 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec
Kb Half-Life at pH 8: 281.632 days
Kb Half-Life at pH 7: 7.711 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.362 (BCF = 23.01 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3400 days (HL = 0.04571 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.304 (BCF = 20.14)
Log BAF Arnot-Gobas method (upper trophic) = 1.304 (BAF = 20.14)
log Kow used: 4.65 (estimated)
Volatilization from Water:
Henry LC: 1.24E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.212E+004 hours (3422 days)
Half-Life from Model Lake : 8.96E+005 hours (3.733E+004 days)
Removal In Wastewater Treatment:
Total removal: 63.62 percent
Total biodegradation: 0.58 percent
Total sludge adsorption: 63.05 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 0.738 7.97 1000
Water 25.8 208 1000
Soil 73.3 416 1000
Sediment 0.127 1.87e+003 0
Persistence Time: 327 hr