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: 062488-55-5



MOL FOR: C7 H12 O1

MOL WT : 112.17

------------------------------ 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) = 1.88

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

Boiling Pt (deg C): 192.96 (Adapted Stein & Brown method)

Melting Pt (deg C): -27.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.112 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 15 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8513

log Kow used: 1.88 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11133 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.47E-005 atm-m3/mole (1.49E+000 Pa-m3/mole)

Group Method: 3.62E-006 atm-m3/mole (3.67E-001 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: 1.942E-006 atm-m3/mole (1.968E-001 Pa-m3/mole)

VP: 0.112 mm Hg (source: MPBPVP)

WS: 8.51E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.88 (KowWin est)

Log Kaw used: -3.221 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.101

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9613

Biowin2 (Non-Linear Model) : 0.9876

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4096 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0844 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6636

Biowin6 (MITI Non-Linear Model): 0.7831

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3294

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): 13.5 Pa (0.101 mm Hg)

Log Koa (Koawin est ): 5.101

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

Mackay model : 2.23E-007

Octanol/air (Koa) model: 3.1E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.05E-006

Mackay model : 1.78E-005

Octanol/air (Koa) model: 2.48E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 146.5103 E-12 cm3/molecule-sec

Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.876 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 32.000000 E-17 cm3/molecule-sec

Half-Life = 0.036 Days (at 7E11 mol/cm3)

Half-Life = 51.570 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.29E-005 (Junge-Pankow, Mackay avg)

2.48E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 21.01 L/kg (MCI method)

Log Koc: 1.322 (MCI method)

Koc : 35.77 L/kg (Kow method)

Log Koc: 1.554 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.910 (BCF = 8.133 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5842 days (HL = 0.2605 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.898 (BCF = 7.899)

Log BAF Arnot-Gobas method (upper trophic) = 0.898 (BAF = 7.899)

log Kow used: 1.88 (estimated)

Volatilization from Water:

Henry LC: 1.47E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 43.26 hours (1.803 days)

Half-Life from Model Lake : 560.8 hours (23.37 days)

Removal In Wastewater Treatment:

Total removal: 2.95 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.04 percent

Total to Air: 0.81 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.124 0.577 1000

Water 35.1 208 1000

Soil 64.7 416 1000

Sediment 0.0878 1.87e+003 0

Persistence Time: 244 hr

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