BT

The Good Scents Company Information Listings

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 Num: 010024-57-4

SMILES : CCCCCCCCCCCC(=O)Oc1ccc(C)cc1

CHEM :

MOL FOR: C19 H30 O2

MOL WT : 290.45

------------------------------ EPI SUMMARY (v4.00) --------------------------

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) = 7.05

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 363.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 105.30 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.03E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00137 (Modified Grain method)

Subcooled liquid VP: 6.29E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00839 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.01335

log Kow used: 7.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0071112 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.22E-003 atm-m3/mole (1.23E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.949E-004 atm-m3/mole (2.988E+001 Pa-m3/mole)

VP: 1.03E-005 mm Hg (source: MPBPVP)

WS: 0.0134 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 7.05 (KowWin est)

Log Kaw used: -1.302 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.352

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9466

Biowin2 (Non-Linear Model) : 0.9954

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9210 (weeks )

Biowin4 (Primary Survey Model) : 3.8582 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7607

Biowin6 (MITI Non-Linear Model): 0.8441

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1170

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): 0.00839 Pa (6.29E-005 mm Hg)

Log Koa (Koawin est ): 8.352

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.000358

Octanol/air (Koa) model: 5.52E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0128

Mackay model : 0.0278

Octanol/air (Koa) model: 0.0044

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.8515 E-12 cm3/molecule-sec

Half-Life = 0.635 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.617 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0203 (Junge-Pankow, Mackay avg)

0.0044 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.269E+004 L/kg (MCI method)

Log Koc: 4.630 (MCI method)

Koc : 5.742E+004 L/kg (Kow method)

Log Koc: 4.759 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.057E-001 L/mol-sec

Kb Half-Life at pH 8: 38.993 days

Kb Half-Life at pH 7: 1.068 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.504 (BCF = 3191 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3736 days (HL = 2.363 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.463 (BCF = 290.6)

Log BAF Arnot-Gobas method (upper trophic) = 3.003 (BAF = 1007)

log Kow used: 7.05 (estimated)

Volatilization from Water:

Henry LC: 0.00122 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.557 hours

Half-Life from Model Lake : 170.8 hours (7.117 days)

Removal In Wastewater Treatment:

Total removal: 93.88 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.01 percent

Total to Air: 0.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.57 15.2 1000

Water 15.5 360 1000

Soil 70.8 720 1000

Sediment 12.1 3.24e+003 0

Persistence Time: 491 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy